[4-[1-[4-(2-bromophenyl)carbonyloxy-2-methyl-5-propan-2-yl-phenyl]-3-oxidanylidene-2-benzofuran-1-yl]-5-methyl-2-propan-2-yl-phenyl] 2-bromanylbenzoate

Systemtic Name: [4-[1-[4-(2-bromophenyl)carbonyloxy-2-methyl-5-propan-2-yl-phenyl]-3-oxidanylidene-2-benzofuran-1-yl]-5-methyl-2-propan-2-yl-phenyl] 2-bromanylbenzoate Openeye Name: [4-[1-[4-(2-bromobenzoyl)oxy-5-isopropyl-2-methyl-phenyl]-3-oxo-isobenzofuran-1-yl]-2-isopropyl-5-methyl-phenyl] 2-bromobenzoate CAS Name: 2-bromobenzoic acid [4-[1-[4-[(2-bromophenyl)-oxomethoxy]-2-methyl-5-propan-2-ylphenyl]-3-oxo-1-isobenzofuranyl]-5-methyl-2-propan-2-ylphenyl] ester IUPAC Name: [4-[1-[4-(2-bromobenzoyl)oxy-2-methyl-5-propan-2-ylphenyl]-3-oxo-2-benzofuran-1-yl]-5-methyl-2-propan-2-ylphenyl] 2-bromobenzoate Traditional Name: 2-bromobenzoic acid [4-[1-[4-(2-bromobenzoyl)oxy-5-isopropyl-2-methyl-phenyl]-3-keto-phthalan-1-yl]-2-isopropyl-5-methyl-phenyl] ester Formula: C42H36Br2O6 MolecularWeight: 796.53964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C2(C3=CC=CC=C3C(=O)O2)C4=CC(=C(C=C4C)OC(=O)C5=CC=CC=C5Br)C(C)C)C(C)C)OC(=O)C6=CC=CC=C6Br

Isomeric SMILES

CC1=CC(=C(C=C1C2(C3=CC=CC=C3C(=O)O2)C4=CC(=C(C=C4C)OC(=O)C5=CC=CC=C5Br)C(C)C)C(C)C)OC(=O)C6=CC=CC=C6Br

InChI

InChI=1S/C42H36Br2O6/c1-23(2)30-21-33(25(5)19-37(30)48-39(45)28-14-8-11-17-35(28)43)42(32-16-10-7-13-27(32)41(47)50-42)34-22-31(24(3)4)38(20-26(34)6)49-40(46)29-15-9-12-18-36(29)44/h7-24H,1-6H3