[4-(2-chloranyl-1-oxidanyl-ethyl)-2-(3-methylphenyl)carbonyloxy-phenyl] 3-methylbenzoate

Systemtic Name: [4-(2-chloranyl-1-oxidanyl-ethyl)-2-(3-methylphenyl)carbonyloxy-phenyl] 3-methylbenzoate Openeye Name: [4-(2-chloro-1-hydroxy-ethyl)-2-(3-methylbenzoyl)oxy-phenyl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [4-(2-chloro-1-hydroxyethyl)-2-[(3-methylphenyl)-oxomethoxy]phenyl] ester IUPAC Name: [4-(2-chloro-1-hydroxyethyl)-2-(3-methylbenzoyl)oxyphenyl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [4-(2-chloro-1-hydroxy-ethyl)-2-m-toluoyloxy-phenyl] ester Formula: C24H21ClO5 MolecularWeight: 424.87354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)OC2=C(C=C(C=C2)C(CCl)O)OC(=O)C3=CC(=CC=C3)C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)OC2=C(C=C(C=C2)C(CCl)O)OC(=O)C3=CC(=CC=C3)C

InChI

InChI=1S/C24H21ClO5/c1-15-5-3-7-18(11-15)23(27)29-21-10-9-17(20(26)14-25)13-22(21)30-24(28)19-8-4-6-16(2)12-19/h3-13,20,26H,14H2,1-2H3