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undecasodium 3-[5-[6-carboxylato-4-hexanoyloxy-5-[4-hexanoyloxy-5-oxidanyl-3-(sulfonatoamino)-6-(sulfonatomethyl)oxan-2-yl]oxy-3-sulfonatooxy-oxan-2-yl]oxy-4-hexanoyloxy-3-(sulfonatoamino)-6-(sulfonatooxymethyl)oxan-2-yl]oxy-4-hexanoyloxy-6-[4-hexanoyloxy-6-[(E)-1-hexanoyloxy-4-oxidanidyl-4-oxidanylidene-but-2-en-2-yl]oxy-5-(sulfonatoamino)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-5-sulfonatooxy-oxane-2-carboxylate

undecasodium 3-[5-[6-carboxylato-4-hexanoyloxy-5-[4-hexanoyloxy-5-oxidanyl-3-(sulfonatoamino)-6-(sulfonatomethyl)oxan-2-yl]oxy-3-sulfonatooxy-oxan-2-yl]oxy-4-hexanoyloxy-3-(sulfonatoamino)-6-(sulfonatooxymethyl)oxan-2-yl]oxy-4-hexanoyloxy-6-[4-hexanoyloxy-6-[(E)-1-hexanoyloxy-4-oxidanidyl-4-oxidanylidene-but-2-en-2-yl]oxy-5-(sulfonatoamino)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-5-sulfonatooxy-oxane-2-carboxylate

Systemtic Name:undecasodium 3-[5-[6-carboxylato-4-hexanoyloxy-5-[4-hexanoyloxy-5-oxidanyl-3-(sulfonatoamino)-6-(sulfonatomethyl)oxan-2-yl]oxy-3-sulfonatooxy-oxan-2-yl]oxy-4-hexanoyloxy-3-(sulfonatoamino)-6-(sulfonatooxymethyl)oxan-2-yl]oxy-4-hexanoyloxy-6-[4-hexanoyloxy-6-[(E)-1-hexanoyloxy-4-oxidanidyl-4-oxidanylidene-but-2-en-2-yl]oxy-5-(sulfonatoamino)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-5-sulfonatooxy-oxane-2-carboxylate
Openeye Name:undecasodium 3-[5-[6-carboxylato-4-hexanoyloxy-5-[4-hexanoyloxy-5-hydroxy-3-(sulfonatoamino)-6-(sulfonatomethyl)tetrahydropyran-2-yl]oxy-3-sulfonatooxy-tetrahydropyran-2-yl]oxy-4-hexanoyloxy-3-(sulfonatoamino)-6-(sulfonatooxymethyl)tetrahydropyran-2-yl]oxy-4-hexanoyloxy-6-[4-hexanoyloxy-6-[(E)-1-(hexanoyloxymethyl)-3-oxido-3-oxo-prop-1-enoxy]-5-(sulfonatoamino)-2-(sulfonatooxymethyl)tetrahydropyran-3-yl]oxy-5-sulfonatooxy-tetrahydropyran-2-carboxylate
CAS Name:undecasodium 3-[[5-[[6-carboxylato-5-[[5-hydroxy-4-(1-oxohexoxy)-3-(sulfonatoamino)-6-(sulfonatomethyl)-2-oxanyl]oxy]-4-(1-oxohexoxy)-3-sulfonatooxy-2-oxanyl]oxy]-4-(1-oxohexoxy)-3-(sulfonatoamino)-6-(sulfonatooxymethyl)-2-oxanyl]oxy]-6-[[6-[(E)-4-oxido-4-oxo-1-(1-oxohexoxy)but-2-en-2-yl]oxy-4-(1-oxohexoxy)-5-(sulfonatoamino)-2-(sulfonatooxymethyl)-3-oxanyl]oxy]-4-(1-oxohexoxy)-5-sulfonatooxy-2-oxanecarboxylate
IUPAC Name:undecasodium 3-[5-[6-carboxylato-4-hexanoyloxy-5-[4-hexanoyloxy-5-hydroxy-3-(sulfonatoamino)-6-(sulfonatomethyl)oxan-2-yl]oxy-3-sulfonatooxyoxan-2-yl]oxy-4-hexanoyloxy-3-(sulfonatoamino)-6-(sulfonatooxymethyl)oxan-2-yl]oxy-4-hexanoyloxy-6-[4-hexanoyloxy-6-[(E)-1-hexanoyloxy-4-oxido-4-oxobut-2-en-2-yl]oxy-5-(sulfonatoamino)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-5-sulfonatooxyoxane-2-carboxylate
Traditional Name:undecasodium 4-caproyloxy-3-[4-caproyloxy-5-[4-caproyloxy-5-[4-caproyloxy-5-hydroxy-3-(sulfonatoamino)-6-(sulfonatomethyl)tetrahydropyran-2-yl]oxy-6-carboxylato-3-sulfato-tetrahydropyran-2-yl]oxy-6-(sulfatomethyl)-3-(sulfonatoamino)tetrahydropyran-2-yl]oxy-6-[4-caproyloxy-6-[(E)-1-(caproyloxymethyl)-3-keto-3-oxido-prop-1-enoxy]-2-(sulfatomethyl)-5-(sulfonatoamino)tetrahydropyran-3-yl]oxy-5-sulfato-tetrahydropyran-2-carboxylate
Formula: C70H104N3Na11O57S8
MolecularWeight: 2408.96813
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OCC(=CC(=O)[O-])OC1C(C(C(C(O1)COS(=O)(=O)[O-])OC2C(C(C(C(O2)C(=O)[O-])OC3C(C(C(C(O3)COS(=O)(=O)[O-])OC4C(C(C(C(O4)C(=O)[O-])OC5C(C(C(C(O5)CS(=O)(=O)[O-])O)OC(=O)CCCCC)NS(=O)(=O)[O-])OC(=O)CCCCC)OS(=O)(=O)[O-])OC(=O)CCCCC)NS(=O)(=O)[O-])OC(=O)CCCCC)OS(=O)(=O)[O-])OC(=O)CCCCC)NS(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]


Isomeric SMILES

CCCCCC(=O)OC/C(=C\C(=O)[O-])/OC1C(C(C(C(O1)COS(=O)(=O)[O-])OC2C(C(C(C(O2)C(=O)[O-])OC3C(C(C(C(O3)COS(=O)(=O)[O-])OC4C(C(C(C(O4)C(=O)[O-])OC5C(C(C(C(O5)CS(=O)(=O)[O-])O)OC(=O)CCCCC)NS(=O)(=O)[O-])OC(=O)CCCCC)OS(=O)(=O)[O-])OC(=O)CCCCC)NS(=O)(=O)[O-])OC(=O)CCCCC)OS(=O)(=O)[O-])OC(=O)CCCCC)NS(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]


InChI

InChI=1S/C70H115N3O57S8.11Na/c1-7-13-19-25-41(76)111-32-36(31-40(74)75)114-66-48(72-133(93,94)95)54(119-43(78)27-21-15-9-3)51(37(115-66)33-112-135(99,100)101)123-69-63(130-138(108,109)110)59(122-46(81)30-24-18-12-6)57(61(128-69)65(85)86)126-68-49(73-134(96,97)98)55(120-44(79)28-22-16-10-4)52(38(116-68)34-113-136(102,103)104)124-70-62(129-137(105,106)107)58(121-45(80)29-23-17-11-5)56(60(127-70)64(83)84)125-67-47(71-132(90,91)92)53(118-42(77)26-20-14-8-2)50(82)39(117-67)35-131(87,88)89;;;;;;;;;;;/h31,37-39,47-63,66-73,82H,7-30,32-35H2,1-6H3,(H,74,75)(H,83,84)(H,85,86)(H,87,88,89)(H,90,91,92)(H,93,94,95)(H,96,97,98)(H,99,100,101)(H,102,103,104)(H,105,106,107)(H,108,109,110);;;;;;;;;;;/q;11*+1/p-11/b36-31+;;;;;;;;;;;


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