[2-acetyloxy-4-(2-chloranyl-1-oxidanyl-ethyl)phenyl] 4-methylbenzoate

Systemtic Name: [2-acetyloxy-4-(2-chloranyl-1-oxidanyl-ethyl)phenyl] 4-methylbenzoate Openeye Name: [2-acetoxy-4-(2-chloro-1-hydroxy-ethyl)phenyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [2-acetyloxy-4-(2-chloro-1-hydroxyethyl)phenyl] ester IUPAC Name: [2-acetyloxy-4-(2-chloro-1-hydroxyethyl)phenyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [2-acetoxy-4-(2-chloro-1-hydroxy-ethyl)phenyl] ester Formula: C18H17ClO5 MolecularWeight: 348.77758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17ClO5/c1-11-3-5-13(6-4-11)18(22)24-16-8-7-14(15(21)10-19)9-17(16)23-12(2)20/h3-9,15,21H,10H2,1-2H3