2,3-bis(oxidanyl)propyl 4-[3-(4-chlorophenyl)carbonyl-2-methyl-phenyl]butanoate

Systemtic Name: 2,3-bis(oxidanyl)propyl 4-[3-(4-chlorophenyl)carbonyl-2-methyl-phenyl]butanoate Openeye Name: 2,3-dihydroxypropyl 4-[3-(4-chlorobenzoyl)-2-methyl-phenyl]butanoate CAS Name: 4-[3-[(4-chlorophenyl)-oxomethyl]-2-methylphenyl]butanoic acid 2,3-dihydroxypropyl ester IUPAC Name: 2,3-dihydroxypropyl 4-[3-(4-chlorobenzoyl)-2-methylphenyl]butanoate Traditional Name: 4-[3-(4-chlorobenzoyl)-2-methyl-phenyl]butyric acid glyceryl ester Formula: C21H23ClO5 MolecularWeight: 390.85732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1CCCC(=O)OCC(CO)O)C(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC1=C(C=CC=C1CCCC(=O)OCC(CO)O)C(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C21H23ClO5/c1-14-15(5-3-7-20(25)27-13-18(24)12-23)4-2-6-19(14)21(26)16-8-10-17(22)11-9-16/h2,4,6,8-11,18,23-24H,3,5,7,12-13H2,1H3