[4-(2-iodanylphenyl)carbonyloxy-3,6-bis(oxidanylidene)-5-undecyl-cyclohexa-1,4-dien-1-yl] 2-iodanylbenzoate

Systemtic Name: [4-(2-iodanylphenyl)carbonyloxy-3,6-bis(oxidanylidene)-5-undecyl-cyclohexa-1,4-dien-1-yl] 2-iodanylbenzoate Openeye Name: [4-(2-iodobenzoyl)oxy-3,6-dioxo-5-undecyl-cyclohexa-1,4-dien-1-yl] 2-iodobenzoate CAS Name: 2-iodobenzoic acid [4-[(2-iodophenyl)-oxomethoxy]-3,6-dioxo-5-undecyl-1-cyclohexa-1,4-dienyl] ester IUPAC Name: [4-(2-iodobenzoyl)oxy-3,6-dioxo-5-undecylcyclohexa-1,4-dien-1-yl] 2-iodobenzoate Traditional Name: 2-iodobenzoic acid [4-(2-iodobenzoyl)oxy-3,6-diketo-5-undecyl-cyclohexa-1,4-dien-1-yl] ester Formula: C31H32I2O6 MolecularWeight: 754.39112

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)OC(=O)C2=CC=CC=C2I)OC(=O)C3=CC=CC=C3I

Isomeric SMILES

CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)OC(=O)C2=CC=CC=C2I)OC(=O)C3=CC=CC=C3I

InChI

InChI=1S/C31H32I2O6/c1-2-3-4-5-6-7-8-9-10-17-23-28(35)27(38-30(36)21-15-11-13-18-24(21)32)20-26(34)29(23)39-31(37)22-16-12-14-19-25(22)33/h11-16,18-20H,2-10,17H2,1H3