4-[4-[(E)-4-heptoxy-3-heptoxycarbonyl-4-oxidanylidene-but-1-enyl]phenyl]carbonyloxybenzoic acid

Systemtic Name: 4-[4-[(E)-4-heptoxy-3-heptoxycarbonyl-4-oxidanylidene-but-1-enyl]phenyl]carbonyloxybenzoic acid Openeye Name: 4-[4-[(E)-4-heptoxy-3-heptoxycarbonyl-4-oxo-but-1-enyl]benzoyl]oxybenzoic acid CAS Name: 4-[[4-[(E)-4-heptoxy-3-[heptoxy(oxo)methyl]-4-oxobut-1-enyl]phenyl]-oxomethoxy]benzoic acid IUPAC Name: 4-[4-[(E)-4-heptoxy-3-heptoxycarbonyl-4-oxobut-1-enyl]benzoyl]oxybenzoic acid Traditional Name: 4-[4-[(E)-4-heptoxy-3-heptoxycarbonyl-4-keto-but-1-enyl]benzoyl]oxybenzoic acid Formula: C33H42O8 MolecularWeight: 566.68178

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)C(C=CC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)O)C(=O)OCCCCCCC

Isomeric SMILES

CCCCCCCOC(=O)C(/C=C/C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)O)C(=O)OCCCCCCC

InChI

InChI=1S/C33H42O8/c1-3-5-7-9-11-23-39-32(37)29(33(38)40-24-12-10-8-6-4-2)22-15-25-13-16-27(17-14-25)31(36)41-28-20-18-26(19-21-28)30(34)35/h13-22,29H,3-12,23-24H2,1-2H3,(H,34,35)/b22-15+