3-(6-oxidanylhexoxycarbonyl)-5-[6-[(E)-4-(6-oxidanylhexoxy)-4-oxidanylidene-but-2-enoyl]oxyhexoxycarbonyl]benzenesulfonate

Systemtic Name: 3-(6-oxidanylhexoxycarbonyl)-5-[6-[(E)-4-(6-oxidanylhexoxy)-4-oxidanylidene-but-2-enoyl]oxyhexoxycarbonyl]benzenesulfonate Openeye Name: 3-(6-hydroxyhexoxycarbonyl)-5-[6-[(E)-4-(6-hydroxyhexoxy)-4-oxo-but-2-enoyl]oxyhexoxycarbonyl]benzenesulfonate CAS Name: 3-[6-[(E)-4-(6-hydroxyhexoxy)-1,4-dioxobut-2-enoxy]hexoxy-oxomethyl]-5-[6-hydroxyhexoxy(oxo)methyl]benzenesulfonate IUPAC Name: 3-(6-hydroxyhexoxycarbonyl)-5-[6-[(E)-4-(6-hydroxyhexoxy)-4-oxobut-2-enoyl]oxyhexoxycarbonyl]benzenesulfonate Traditional Name: 3-(6-hydroxyhexoxycarbonyl)-5-[6-[(E)-4-(6-hydroxyhexoxy)-4-keto-but-2-enoyl]oxyhexoxycarbonyl]besylate Formula: C30H43O13S- MolecularWeight: 643.71962

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1C(=O)OCCCCCCOC(=O)C=CC(=O)OCCCCCCO)S(=O)(=O)[O-])C(=O)OCCCCCCO

Isomeric SMILES

C1=C(C=C(C=C1C(=O)OCCCCCCOC(=O)/C=C/C(=O)OCCCCCCO)S(=O)(=O)[O-])C(=O)OCCCCCCO

InChI

InChI=1S/C30H44O13S/c31-15-7-1-3-9-17-40-27(33)13-14-28(34)41-18-10-5-6-12-20-43-30(36)25-21-24(22-26(23-25)44(37,38)39)29(35)42-19-11-4-2-8-16-32/h13-14,21-23,31-32H,1-12,15-20H2,(H,37,38,39)/p-1/b14-13+