(4-bromanyl-2-chloranyl-6-methyl-phenyl) 9H-xanthene-9-carboxylate

Systemtic Name: (4-bromanyl-2-chloranyl-6-methyl-phenyl) 9H-xanthene-9-carboxylate Openeye Name: (4-bromo-2-chloro-6-methyl-phenyl) 9H-xanthene-9-carboxylate CAS Name: 9H-xanthene-9-carboxylic acid (4-bromo-2-chloro-6-methylphenyl) ester IUPAC Name: (4-bromo-2-chloro-6-methylphenyl) 9H-xanthene-9-carboxylate Traditional Name: 9H-xanthene-9-carboxylic acid (4-bromo-2-chloro-6-methyl-phenyl) ester Formula: C21H14BrClO3 MolecularWeight: 429.69106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24)Cl)Br

Isomeric SMILES

CC1=CC(=CC(=C1OC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24)Cl)Br

InChI

InChI=1S/C21H14BrClO3/c1-12-10-13(22)11-16(23)20(12)26-21(24)19-14-6-2-4-8-17(14)25-18-9-5-3-7-15(18)19/h2-11,19H,1H3