[2-[7a-methyl-1,5-bis(oxidanylidene)-2,3,6,7-tetrahydroinden-4-yl]-1-(3-methoxyphenyl)ethyl] 4-bromanylbenzoate; 4-bromanylbenzoic acid

Systemtic Name: [2-[7a-methyl-1,5-bis(oxidanylidene)-2,3,6,7-tetrahydroinden-4-yl]-1-(3-methoxyphenyl)ethyl] 4-bromanylbenzoate; 4-bromanylbenzoic acid Openeye Name: [2-(7a-methyl-1,5-dioxo-2,3,6,7-tetrahydroinden-4-yl)-1-(3-methoxyphenyl)ethyl] 4-bromobenzoate; 4-bromobenzoic acid CAS Name: 4-bromobenzoic acid; 4-bromobenzoic acid [2-(7a-methyl-1,5-dioxo-2,3,6,7-tetrahydroinden-4-yl)-1-(3-methoxyphenyl)ethyl] ester IUPAC Name: [2-(7a-methyl-1,5-dioxo-2,3,6,7-tetrahydroinden-4-yl)-1-(3-methoxyphenyl)ethyl] 4-bromobenzoate; 4-bromobenzoic acid Traditional Name: 4-bromobenzoic acid; 4-bromobenzoic acid [2-(1,5-diketo-7a-methyl-2,3,6,7-tetrahydroinden-4-yl)-1-(3-methoxyphenyl)ethyl] ester Formula: C33H30Br2O7 MolecularWeight: 698.3951

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC(=O)C(=C1CCC2=O)CC(C3=CC(=CC=C3)OC)OC(=O)C4=CC=C(C=C4)Br.C1=CC(=CC=C1C(=O)O)Br

Isomeric SMILES

CC12CCC(=O)C(=C1CCC2=O)CC(C3=CC(=CC=C3)OC)OC(=O)C4=CC=C(C=C4)Br.C1=CC(=CC=C1C(=O)O)Br

InChI

InChI=1S/C26H25BrO5.C7H5BrO2/c1-26-13-12-22(28)20(21(26)10-11-24(26)29)15-23(17-4-3-5-19(14-17)31-2)32-25(30)16-6-8-18(27)9-7-16;8-6-3-1-5(2-4-6)7(9)10/h3-9,14,23H,10-13,15H2,1-2H3;1-4H,(H,9,10)