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

Systemtic Name: [4-(3-methylphenyl)carbonyloxy-3,6-bis(oxidanylidene)-5-undecyl-cyclohexa-1,4-dien-1-yl] 3-methylbenzoate Openeye Name: [4-(3-methylbenzoyl)oxy-3,6-dioxo-5-undecyl-cyclohexa-1,4-dien-1-yl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [4-[(3-methylphenyl)-oxomethoxy]-3,6-dioxo-5-undecyl-1-cyclohexa-1,4-dienyl] ester IUPAC Name: [4-(3-methylbenzoyl)oxy-3,6-dioxo-5-undecylcyclohexa-1,4-dien-1-yl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid (3,6-diketo-4-m-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(=CC=C2)C)OC(=O)C3=CC(=CC=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C33H38O6/c1-4-5-6-7-8-9-10-11-12-19-27-30(35)29(38-32(36)25-17-13-15-23(2)20-25)22-28(34)31(27)39-33(37)26-18-14-16-24(3)21-26/h13-18,20-22H,4-12,19H2,1-3H3