4-[4-[(E)-4-octoxy-3-octoxycarbonyl-4-oxidanylidene-but-1-enyl]phenyl]carbonyloxybenzoic acid

Systemtic Name: 4-[4-[(E)-4-octoxy-3-octoxycarbonyl-4-oxidanylidene-but-1-enyl]phenyl]carbonyloxybenzoic acid Openeye Name: 4-[4-[(E)-4-octoxy-3-octoxycarbonyl-4-oxo-but-1-enyl]benzoyl]oxybenzoic acid CAS Name: 4-[[4-[(E)-4-octoxy-3-[octoxy(oxo)methyl]-4-oxobut-1-enyl]phenyl]-oxomethoxy]benzoic acid IUPAC Name: 4-[4-[(E)-4-octoxy-3-octoxycarbonyl-4-oxobut-1-enyl]benzoyl]oxybenzoic acid Traditional Name: 4-[4-[(E)-4-keto-4-octoxy-3-octoxycarbonyl-but-1-enyl]benzoyl]oxybenzoic acid Formula: C35H46O8 MolecularWeight: 594.73494

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C(C=CC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)O)C(=O)OCCCCCCCC

Isomeric SMILES

CCCCCCCCOC(=O)C(/C=C/C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)O)C(=O)OCCCCCCCC

InChI

InChI=1S/C35H46O8/c1-3-5-7-9-11-13-25-41-34(39)31(35(40)42-26-14-12-10-8-6-4-2)24-17-27-15-18-29(19-16-27)33(38)43-30-22-20-28(21-23-30)32(36)37/h15-24,31H,3-14,25-26H2,1-2H3,(H,36,37)/b24-17+