[3,6-bis(oxidanylidene)-4-(phenylcarbonyloxy)-5-undecyl-cyclohexa-1,4-dien-1-yl] benzoate

Systemtic Name: [3,6-bis(oxidanylidene)-4-(phenylcarbonyloxy)-5-undecyl-cyclohexa-1,4-dien-1-yl] benzoate Openeye Name: (4-benzoyloxy-3,6-dioxo-5-undecyl-cyclohexa-1,4-dien-1-yl) benzoate CAS Name: benzoic acid (4-benzoyloxy-3,6-dioxo-5-undecyl-1-cyclohexa-1,4-dienyl) ester IUPAC Name: (4-benzoyloxy-3,6-dioxo-5-undecylcyclohexa-1,4-dien-1-yl) benzoate Traditional Name: benzoic acid (4-benzoyloxy-3,6-diketo-5-undecyl-cyclohexa-1,4-dien-1-yl) ester Formula: C31H34O6 MolecularWeight: 502.59806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H34O6/c1-2-3-4-5-6-7-8-9-16-21-25-28(33)27(36-30(34)23-17-12-10-13-18-23)22-26(32)29(25)37-31(35)24-19-14-11-15-20-24/h10-15,17-20,22H,2-9,16,21H2,1H3