dodecasodium 2-[3-[[(2R,3S,4S,5R,6R)-3-[(2S,3R,4R,5R,6R)-4,5-bis[3-[1,4-bis(oxidanidyl)-1,4-bis(oxidanylidene)butan-2-yl]sulfanylpropoxy]-6-[3-[1,4-bis(oxidanidyl)-1,4-bis(oxidanylidene)butan-2-yl]sulfanylpropoxymethyl]-3-oxidanyl-oxan-2-yl]oxy-5,6-bis[3-[1,4-bis(oxidanidyl)-1,4-bis(oxidanylidene)butan-2-yl]sulfanylpropoxy]-4-oxidanyl-oxan-2-yl]methoxy]propylsulfanyl]butanedioate

Systemtic Name: dodecasodium 2-[3-[[(2R,3S,4S,5R,6R)-3-[(2S,3R,4R,5R,6R)-4,5-bis[3-[1,4-bis(oxidanidyl)-1,4-bis(oxidanylidene)butan-2-yl]sulfanylpropoxy]-6-[3-[1,4-bis(oxidanidyl)-1,4-bis(oxidanylidene)butan-2-yl]sulfanylpropoxymethyl]-3-oxidanyl-oxan-2-yl]oxy-5,6-bis[3-[1,4-bis(oxidanidyl)-1,4-bis(oxidanylidene)butan-2-yl]sulfanylpropoxy]-4-oxidanyl-oxan-2-yl]methoxy]propylsulfanyl]butanedioate Openeye Name: dodecasodium 2-[3-[[(2R,3S,4S,5R,6R)-3-[(2S,3R,4R,5R,6R)-4,5-bis[3-(1-carboxylato-3-oxido-3-oxo-propyl)sulfanylpropoxy]-6-[3-(1-carboxylato-3-oxido-3-oxo-propyl)sulfanylpropoxymethyl]-3-hydroxy-tetrahydropyran-2-yl]oxy-5,6-bis[3-(1-carboxylato-3-oxido-3-oxo-propyl)sulfanylpropoxy]-4-hydroxy-tetrahydropyran-2-yl]methoxy]propylsulfanyl]butanedioate CAS Name: dodecasodium 2-[3-[[(2R,3S,4S,5R,6R)-3-[[(2S,3R,4R,5R,6R)-4,5-bis[3-[(1,4-dioxido-1,4-dioxobutan-2-yl)thio]propoxy]-6-[3-[(1,4-dioxido-1,4-dioxobutan-2-yl)thio]propoxymethyl]-3-hydroxy-2-oxanyl]oxy]-5,6-bis[3-[(1,4-dioxido-1,4-dioxobutan-2-yl)thio]propoxy]-4-hydroxy-2-oxanyl]methoxy]propylthio]butanedioate IUPAC Name: dodecasodium 2-[3-[[(2R,3S,4S,5R,6R)-3-[(2S,3R,4R,5R,6R)-4,5-bis[3-(1,4-dioxido-1,4-dioxobutan-2-yl)sulfanylpropoxy]-6-[3-(1,4-dioxido-1,4-dioxobutan-2-yl)sulfanylpropoxymethyl]-3-hydroxyoxan-2-yl]oxy-5,6-bis[3-(1,4-dioxido-1,4-dioxobutan-2-yl)sulfanylpropoxy]-4-hydroxyoxan-2-yl]methoxy]propylsulfanyl]butanedioate Traditional Name: dodecasodium 2-[3-[[(2R,3S,4S,5R,6R)-3-[(2S,3R,4R,5R,6R)-4,5-bis[3-[(1-carboxylato-3-keto-3-oxido-propyl)thio]propoxy]-6-[3-[(1-carboxylato-3-keto-3-oxido-propyl)thio]propoxymethyl]-3-hydroxy-tetrahydropyran-2-yl]oxy-5,6-bis[3-[(1-carboxylato-3-keto-3-oxido-propyl)thio]propoxy]-4-hydroxy-tetrahydropyran-2-yl]methoxy]propylthio]succinate Formula: C54H70Na12O35S6 MolecularWeight: 1747.37984

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Descriptors Computed from Structure

Canonical SMILES:

C(COCC1C(C(C(C(O1)OCCCSC(CC(=O)[O-])C(=O)[O-])OCCCSC(CC(=O)[O-])C(=O)[O-])O)OC2C(C(C(C(O2)COCCCSC(CC(=O)[O-])C(=O)[O-])OCCCSC(CC(=O)[O-])C(=O)[O-])OCCCSC(CC(=O)[O-])C(=O)[O-])O)CSC(CC(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

C(COC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OCCCSC(CC(=O)[O-])C(=O)[O-])OCCCSC(CC(=O)[O-])C(=O)[O-])O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COCCCSC(CC(=O)[O-])C(=O)[O-])OCCCSC(CC(=O)[O-])C(=O)[O-])OCCCSC(CC(=O)[O-])C(=O)[O-])O)CSC(CC(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C54H82O35S6.12Na/c55-35(56)19-29(47(69)70)90-13-1-7-81-25-27-43(41(67)46(85-11-5-17-94-33(51(77)78)23-39(63)64)54(88-27)86-12-6-18-95-34(52(79)80)24-40(65)66)89-53-42(68)45(84-10-4-16-93-32(50(75)76)22-38(61)62)44(83-9-3-15-92-31(49(73)74)21-37(59)60)28(87-53)26-82-8-2-14-91-30(48(71)72)20-36(57)58;;;;;;;;;;;;/h27-34,41-46,53-54,67-68H,1-26H2,(H,55,56)(H,57,58)(H,59,60)(H,61,62)(H,63,64)(H,65,66)(H,69,70)(H,71,72)(H,73,74)(H,75,76)(H,77,78)(H,79,80);;;;;;;;;;;;/q;12*+1/p-12/t27-,28-,29?,30?,31?,32?,33?,34?,41+,42-,43-,44-,45-,46-,53+,54-;;;;;;;;;;;;/m1............/s1