4-[4-[(E)-4-hexoxy-3-hexoxycarbonyl-4-oxidanylidene-but-1-enyl]phenyl]carbonyloxybenzoic acid

Systemtic Name: 4-[4-[(E)-4-hexoxy-3-hexoxycarbonyl-4-oxidanylidene-but-1-enyl]phenyl]carbonyloxybenzoic acid Openeye Name: 4-[4-[(E)-4-hexoxy-3-hexoxycarbonyl-4-oxo-but-1-enyl]benzoyl]oxybenzoic acid CAS Name: 4-[[4-[(E)-4-hexoxy-3-[hexoxy(oxo)methyl]-4-oxobut-1-enyl]phenyl]-oxomethoxy]benzoic acid IUPAC Name: 4-[4-[(E)-4-hexoxy-3-hexoxycarbonyl-4-oxobut-1-enyl]benzoyl]oxybenzoic acid Traditional Name: 4-[4-[(E)-4-hexoxy-3-hexoxycarbonyl-4-keto-but-1-enyl]benzoyl]oxybenzoic acid Formula: C31H38O8 MolecularWeight: 538.62862

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C(C=CC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)O)C(=O)OCCCCCC

Isomeric SMILES

CCCCCCOC(=O)C(/C=C/C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)O)C(=O)OCCCCCC

InChI

InChI=1S/C31H38O8/c1-3-5-7-9-21-37-30(35)27(31(36)38-22-10-8-6-4-2)20-13-23-11-14-25(15-12-23)29(34)39-26-18-16-24(17-19-26)28(32)33/h11-20,27H,3-10,21-22H2,1-2H3,(H,32,33)/b20-13+