[5,7-dimethyl-2-(4-methylphenyl)-4-oxidanylidene-chromen-3-yl] 3-bromanylbenzoate

Systemtic Name: [5,7-dimethyl-2-(4-methylphenyl)-4-oxidanylidene-chromen-3-yl] 3-bromanylbenzoate Openeye Name: [5,7-dimethyl-4-oxo-2-(p-tolyl)chromen-3-yl] 3-bromobenzoate CAS Name: 3-bromobenzoic acid [5,7-dimethyl-2-(4-methylphenyl)-4-oxo-1-benzopyran-3-yl] ester IUPAC Name: [5,7-dimethyl-2-(4-methylphenyl)-4-oxochromen-3-yl] 3-bromobenzoate Traditional Name: 3-bromobenzoic acid [4-keto-5,7-dimethyl-2-(p-tolyl)chromen-3-yl] ester Formula: C25H19BrO4 MolecularWeight: 463.31996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)C)C)OC(=O)C4=CC(=CC=C4)Br

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)C)C)OC(=O)C4=CC(=CC=C4)Br

InChI

InChI=1S/C25H19BrO4/c1-14-7-9-17(10-8-14)23-24(30-25(28)18-5-4-6-19(26)13-18)22(27)21-16(3)11-15(2)12-20(21)29-23/h4-13H,1-3H3