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

Systemtic Name: [4-(4-bromophenyl)carbonyloxy-3,6-bis(oxidanylidene)-5-undecyl-cyclohexa-1,4-dien-1-yl] 4-bromanylbenzoate Openeye Name: [4-(4-bromobenzoyl)oxy-3,6-dioxo-5-undecyl-cyclohexa-1,4-dien-1-yl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [4-[(4-bromophenyl)-oxomethoxy]-3,6-dioxo-5-undecyl-1-cyclohexa-1,4-dienyl] ester IUPAC Name: [4-(4-bromobenzoyl)oxy-3,6-dioxo-5-undecylcyclohexa-1,4-dien-1-yl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [4-(4-bromobenzoyl)oxy-3,6-diketo-5-undecyl-cyclohexa-1,4-dien-1-yl] ester Formula: C31H32Br2O6 MolecularWeight: 660.39018

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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)Br)OC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

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

InChI

InChI=1S/C31H32Br2O6/c1-2-3-4-5-6-7-8-9-10-11-25-28(35)27(38-30(36)21-12-16-23(32)17-13-21)20-26(34)29(25)39-31(37)22-14-18-24(33)19-15-22/h12-20H,2-11H2,1H3