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undecasodium 3-[5-[6-carboxylato-4-octanoyloxy-5-[4-octanoyloxy-5-oxidanyl-3-(sulfonatoamino)-6-(sulfonatomethyl)oxan-2-yl]oxy-3-sulfonatooxy-oxan-2-yl]oxy-4-octanoyloxy-3-(sulfonatoamino)-6-(sulfonatooxymethyl)oxan-2-yl]oxy-4-octanoyloxy-6-[4-octanoyloxy-6-[(E)-1-octanoyloxy-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-octanoyloxy-5-[4-octanoyloxy-5-oxidanyl-3-(sulfonatoamino)-6-(sulfonatomethyl)oxan-2-yl]oxy-3-sulfonatooxy-oxan-2-yl]oxy-4-octanoyloxy-3-(sulfonatoamino)-6-(sulfonatooxymethyl)oxan-2-yl]oxy-4-octanoyloxy-6-[4-octanoyloxy-6-[(E)-1-octanoyloxy-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-5-[5-hydroxy-4-octanoyloxy-3-(sulfonatoamino)-6-(sulfonatomethyl)tetrahydropyran-2-yl]oxy-4-octanoyloxy-3-sulfonatooxy-tetrahydropyran-2-yl]oxy-4-octanoyloxy-3-(sulfonatoamino)-6-(sulfonatooxymethyl)tetrahydropyran-2-yl]oxy-4-octanoyloxy-6-[4-octanoyloxy-6-[(E)-1-(octanoyloxymethyl)-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-oxooctoxy)-3-(sulfonatoamino)-6-(sulfonatomethyl)-2-oxanyl]oxy]-4-(1-oxooctoxy)-3-sulfonatooxy-2-oxanyl]oxy]-4-(1-oxooctoxy)-3-(sulfonatoamino)-6-(sulfonatooxymethyl)-2-oxanyl]oxy]-6-[[6-[(E)-4-oxido-4-oxo-1-(1-oxooctoxy)but-2-en-2-yl]oxy-4-(1-oxooctoxy)-5-(sulfonatoamino)-2-(sulfonatooxymethyl)-3-oxanyl]oxy]-4-(1-oxooctoxy)-5-sulfonatooxy-2-oxanecarboxylate
IUPAC Name:	undecasodium 3-[5-[6-carboxylato-5-[5-hydroxy-4-octanoyloxy-3-(sulfonatoamino)-6-(sulfonatomethyl)oxan-2-yl]oxy-4-octanoyloxy-3-sulfonatooxyoxan-2-yl]oxy-4-octanoyloxy-3-(sulfonatoamino)-6-(sulfonatooxymethyl)oxan-2-yl]oxy-4-octanoyloxy-6-[4-octanoyloxy-6-[(E)-1-octanoyloxy-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-caprylyloxy-3-[4-caprylyloxy-5-[4-caprylyloxy-5-[4-caprylyloxy-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-caprylyloxy-6-[(E)-1-(caprylyloxymethyl)-3-keto-3-oxido-prop-1-enoxy]-2-(sulfatomethyl)-5-(sulfonatoamino)tetrahydropyran-3-yl]oxy-5-sulfato-tetrahydropyran-2-carboxylate
Formula:	C₈₂H₁₂₈N₃Na₁₁O₅₇S₈
MolecularWeight:	2577.28709

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=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)CCCCCCC)NS(=O)(=O)[O-])OC(=O)CCCCCCC)OS(=O)(=O)[O-])OC(=O)CCCCCCC)NS(=O)(=O)[O-])OC(=O)CCCCCCC)OS(=O)(=O)[O-])OC(=O)CCCCCCC)NS(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

CCCCCCCC(=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)CCCCCCC)NS(=O)(=O)[O-])OC(=O)CCCCCCC)OS(=O)(=O)[O-])OC(=O)CCCCCCC)NS(=O)(=O)[O-])OC(=O)CCCCCCC)OS(=O)(=O)[O-])OC(=O)CCCCCCC)NS(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C82H139N3O57S8.11Na/c1-7-13-19-25-31-37-53(88)123-44-48(43-52(86)87)126-78-60(84-145(105,106)107)66(131-55(90)39-33-27-21-15-9-3)63(49(127-78)45-124-147(111,112)113)135-81-75(142-150(120,121)122)71(134-58(93)42-36-30-24-18-12-6)69(73(140-81)77(97)98)138-80-61(85-146(108,109)110)67(132-56(91)40-34-28-22-16-10-4)64(50(128-80)46-125-148(114,115)116)136-82-74(141-149(117,118)119)70(133-57(92)41-35-29-23-17-11-5)68(72(139-82)76(95)96)137-79-59(83-144(102,103)104)65(62(94)51(129-79)47-143(99,100)101)130-54(89)38-32-26-20-14-8-2;;;;;;;;;;;/h43,49-51,59-75,78-85,94H,7-42,44-47H2,1-6H3,(H,86,87)(H,95,96)(H,97,98)(H,99,100,101)(H,102,103,104)(H,105,106,107)(H,108,109,110)(H,111,112,113)(H,114,115,116)(H,117,118,119)(H,120,121,122);;;;;;;;;;;/q;11*+1/p-11/b48-43+;;;;;;;;;;;

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