ethyl 8-bromanyl-2,2-dimethyl-4-(4-methylphenyl)-4-oxidanyl-3H-chromene-6-carboxylate

Systemtic Name: ethyl 8-bromanyl-2,2-dimethyl-4-(4-methylphenyl)-4-oxidanyl-3H-chromene-6-carboxylate Openeye Name: ethyl 8-bromo-4-hydroxy-2,2-dimethyl-4-(p-tolyl)chromane-6-carboxylate CAS Name: 8-bromo-4-hydroxy-2,2-dimethyl-4-(4-methylphenyl)-3,4-dihydro-2H-1-benzopyran-6-carboxylic acid ethyl ester IUPAC Name: ethyl 8-bromo-4-hydroxy-2,2-dimethyl-4-(4-methylphenyl)-3H-chromene-6-carboxylate Traditional Name: 8-bromo-4-hydroxy-2,2-dimethyl-4-(p-tolyl)chroman-6-carboxylic acid ethyl ester Formula: C21H23BrO4 MolecularWeight: 419.30892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C(=C1)Br)OC(CC2(C3=CC=C(C=C3)C)O)(C)C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C(=C1)Br)OC(CC2(C3=CC=C(C=C3)C)O)(C)C

InChI

InChI=1S/C21H23BrO4/c1-5-25-19(23)14-10-16-18(17(22)11-14)26-20(3,4)12-21(16,24)15-8-6-13(2)7-9-15/h6-11,24H,5,12H2,1-4H3