[4-(4-methylphenyl)carbonyloxy-3,6-bis(oxidanylidene)-5-undecyl-cyclohexa-1,4-dien-1-yl] 4-methylbenzoate

Systemtic Name: [4-(4-methylphenyl)carbonyloxy-3,6-bis(oxidanylidene)-5-undecyl-cyclohexa-1,4-dien-1-yl] 4-methylbenzoate Openeye Name: [4-(4-methylbenzoyl)oxy-3,6-dioxo-5-undecyl-cyclohexa-1,4-dien-1-yl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [4-[(4-methylphenyl)-oxomethoxy]-3,6-dioxo-5-undecyl-1-cyclohexa-1,4-dienyl] ester IUPAC Name: [4-(4-methylbenzoyl)oxy-3,6-dioxo-5-undecylcyclohexa-1,4-dien-1-yl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid (3,6-diketo-4-p-toluoyloxy-5-undecyl-cyclohexa-1,4-dien-1-yl) ester Formula: C33H38O6 MolecularWeight: 530.65122

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)OC(=O)C2=CC=C(C=C2)C)OC(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)OC(=O)C2=CC=C(C=C2)C)OC(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C33H38O6/c1-4-5-6-7-8-9-10-11-12-13-27-30(35)29(38-32(36)25-18-14-23(2)15-19-25)22-28(34)31(27)39-33(37)26-20-16-24(3)17-21-26/h14-22H,4-13H2,1-3H3