[6,8-dimethyl-2-(4-methylphenyl)-4-oxidanylidene-chromen-3-yl] 3-bromanylbenzoate

Systemtic Name: [6,8-dimethyl-2-(4-methylphenyl)-4-oxidanylidene-chromen-3-yl] 3-bromanylbenzoate Openeye Name: [6,8-dimethyl-4-oxo-2-(p-tolyl)chromen-3-yl] 3-bromobenzoate CAS Name: 3-bromobenzoic acid [6,8-dimethyl-2-(4-methylphenyl)-4-oxo-1-benzopyran-3-yl] ester IUPAC Name: [6,8-dimethyl-2-(4-methylphenyl)-4-oxochromen-3-yl] 3-bromobenzoate Traditional Name: 3-bromobenzoic acid [4-keto-6,8-dimethyl-2-(p-tolyl)chromen-3-yl] ester Formula: C25H19BrO4 MolecularWeight: 463.31996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=O)C3=CC(=CC(=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)21(27)20-12-15(2)11-16(3)22(20)29-23/h4-13H,1-3H3