[6-chloranyl-2-(4-methylphenyl)-4-oxidanylidene-chromen-3-yl] 3-bromanylbenzoate

Systemtic Name: [6-chloranyl-2-(4-methylphenyl)-4-oxidanylidene-chromen-3-yl] 3-bromanylbenzoate Openeye Name: [6-chloro-4-oxo-2-(p-tolyl)chromen-3-yl] 3-bromobenzoate CAS Name: 3-bromobenzoic acid [6-chloro-2-(4-methylphenyl)-4-oxo-1-benzopyran-3-yl] ester IUPAC Name: [6-chloro-2-(4-methylphenyl)-4-oxochromen-3-yl] 3-bromobenzoate Traditional Name: 3-bromobenzoic acid [6-chloro-4-keto-2-(p-tolyl)chromen-3-yl] ester Formula: C23H14BrClO4 MolecularWeight: 469.71186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C=CC(=C3)Cl)OC(=O)C4=CC(=CC=C4)Br

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C=CC(=C3)Cl)OC(=O)C4=CC(=CC=C4)Br

InChI

InChI=1S/C23H14BrClO4/c1-13-5-7-14(8-6-13)21-22(29-23(27)15-3-2-4-16(24)11-15)20(26)18-12-17(25)9-10-19(18)28-21/h2-12H,1H3