[6,8-bis(chloranyl)-2-(4-methylphenyl)-4-oxidanylidene-chromen-3-yl] thiophene-2-carboxylate

Systemtic Name: [6,8-bis(chloranyl)-2-(4-methylphenyl)-4-oxidanylidene-chromen-3-yl] thiophene-2-carboxylate Openeye Name: [6,8-dichloro-4-oxo-2-(p-tolyl)chromen-3-yl] thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid [6,8-dichloro-2-(4-methylphenyl)-4-oxo-1-benzopyran-3-yl] ester IUPAC Name: [6,8-dichloro-2-(4-methylphenyl)-4-oxochromen-3-yl] thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid [6,8-dichloro-4-keto-2-(p-tolyl)chromen-3-yl] ester Formula: C21H12Cl2O4S MolecularWeight: 431.28858

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)Cl)Cl)OC(=O)C4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=O)C3=CC(=CC(=C3O2)Cl)Cl)OC(=O)C4=CC=CS4

InChI

InChI=1S/C21H12Cl2O4S/c1-11-4-6-12(7-5-11)18-20(27-21(25)16-3-2-8-28-16)17(24)14-9-13(22)10-15(23)19(14)26-18/h2-10H,1H3