octyl 3-(2-chloranyl-6-methyl-phenyl)-3-oxidanylidene-2-phenyl-propanoate

Systemtic Name: octyl 3-(2-chloranyl-6-methyl-phenyl)-3-oxidanylidene-2-phenyl-propanoate Openeye Name: octyl 3-(2-chloro-6-methyl-phenyl)-3-oxo-2-phenyl-propanoate CAS Name: 3-(2-chloro-6-methylphenyl)-3-oxo-2-phenylpropanoic acid octyl ester IUPAC Name: octyl 3-(2-chloro-6-methylphenyl)-3-oxo-2-phenylpropanoate Traditional Name: 3-(2-chloro-6-methyl-phenyl)-3-keto-2-phenyl-propionic acid octyl ester Formula: C24H29ClO3 MolecularWeight: 400.93826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C(C1=CC=CC=C1)C(=O)C2=C(C=CC=C2Cl)C

Isomeric SMILES

CCCCCCCCOC(=O)C(C1=CC=CC=C1)C(=O)C2=C(C=CC=C2Cl)C

InChI

InChI=1S/C24H29ClO3/c1-3-4-5-6-7-11-17-28-24(27)22(19-14-9-8-10-15-19)23(26)21-18(2)13-12-16-20(21)25/h8-10,12-16,22H,3-7,11,17H2,1-2H3