3-[6-[(E)-4-heptoxy-4-oxidanylidene-but-2-enoyl]oxyhexoxycarbonyl]-5-(6-oxidanylhexoxycarbonyl)benzenesulfonic acid

Systemtic Name: 3-[6-[(E)-4-heptoxy-4-oxidanylidene-but-2-enoyl]oxyhexoxycarbonyl]-5-(6-oxidanylhexoxycarbonyl)benzenesulfonic acid Openeye Name: 3-[6-[(E)-4-heptoxy-4-oxo-but-2-enoyl]oxyhexoxycarbonyl]-5-(6-hydroxyhexoxycarbonyl)benzenesulfonic acid CAS Name: 3-[6-[(E)-4-heptoxy-1,4-dioxobut-2-enoxy]hexoxy-oxomethyl]-5-[6-hydroxyhexoxy(oxo)methyl]benzenesulfonic acid IUPAC Name: 3-[6-[(E)-4-heptoxy-4-oxobut-2-enoyl]oxyhexoxycarbonyl]-5-(6-hydroxyhexoxycarbonyl)benzenesulfonic acid Traditional Name: 3-[6-[(E)-4-heptoxy-4-keto-but-2-enoyl]oxyhexoxycarbonyl]-5-(6-hydroxyhexoxycarbonyl)besylic acid Formula: C31H46O12S MolecularWeight: 642.75474

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)C=CC(=O)OCCCCCCOC(=O)C1=CC(=CC(=C1)C(=O)OCCCCCCO)S(=O)(=O)O

Isomeric SMILES

CCCCCCCOC(=O)/C=C/C(=O)OCCCCCCOC(=O)C1=CC(=CC(=C1)C(=O)OCCCCCCO)S(=O)(=O)O

InChI

InChI=1S/C31H46O12S/c1-2-3-4-6-11-18-40-28(33)15-16-29(34)41-19-12-8-9-14-21-43-31(36)26-22-25(23-27(24-26)44(37,38)39)30(35)42-20-13-7-5-10-17-32/h15-16,22-24,32H,2-14,17-21H2,1H3,(H,37,38,39)/b16-15+