(3-chloranyl-5-methyl-4-oxidanyl-phenyl) benzoate

Systemtic Name: (3-chloranyl-5-methyl-4-oxidanyl-phenyl) benzoate Openeye Name: (3-chloro-4-hydroxy-5-methyl-phenyl) benzoate CAS Name: benzoic acid (3-chloro-4-hydroxy-5-methylphenyl) ester IUPAC Name: (3-chloro-4-hydroxy-5-methylphenyl) benzoate Traditional Name: benzoic acid (3-chloro-4-hydroxy-5-methyl-phenyl) ester Formula: C14H11ClO3 MolecularWeight: 262.68834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)Cl)OC(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=CC(=CC(=C1O)Cl)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C14H11ClO3/c1-9-7-11(8-12(15)13(9)16)18-14(17)10-5-3-2-4-6-10/h2-8,16H,1H3