4-[4-[(E)-4-oxidanylidene-4-tridecoxy-3-tridecoxycarbonyl-but-1-enyl]phenyl]carbonyloxybenzoic acid

Systemtic Name: 4-[4-[(E)-4-oxidanylidene-4-tridecoxy-3-tridecoxycarbonyl-but-1-enyl]phenyl]carbonyloxybenzoic acid Openeye Name: 4-[4-[(E)-4-oxo-4-tridecoxy-3-tridecoxycarbonyl-but-1-enyl]benzoyl]oxybenzoic acid CAS Name: 4-[oxo-[4-[(E)-4-oxo-3-[oxo(tridecoxy)methyl]-4-tridecoxybut-1-enyl]phenyl]methoxy]benzoic acid IUPAC Name: 4-[4-[(E)-4-oxo-4-tridecoxy-3-tridecoxycarbonylbut-1-enyl]benzoyl]oxybenzoic acid Traditional Name: 4-[4-[(E)-4-keto-4-tridecoxy-3-tridecoxycarbonyl-but-1-enyl]benzoyl]oxybenzoic acid Formula: C45H66O8 MolecularWeight: 735.00074

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCOC(=O)C(C=CC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)O)C(=O)OCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCOC(=O)C(/C=C/C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)O)C(=O)OCCCCCCCCCCCCC

InChI

InChI=1S/C45H66O8/c1-3-5-7-9-11-13-15-17-19-21-23-35-51-44(49)41(45(50)52-36-24-22-20-18-16-14-12-10-8-6-4-2)34-27-37-25-28-39(29-26-37)43(48)53-40-32-30-38(31-33-40)42(46)47/h25-34,41H,3-24,35-36H2,1-2H3,(H,46,47)/b34-27+