methyl 2-[(3R)-3-acetyloxy-3-(3-acetyloxyphenyl)propyl]-5-chloranyl-benzoate

Systemtic Name: methyl 2-[(3R)-3-acetyloxy-3-(3-acetyloxyphenyl)propyl]-5-chloranyl-benzoate Openeye Name: methyl 2-[(3R)-3-acetoxy-3-(3-acetoxyphenyl)propyl]-5-chloro-benzoate CAS Name: 2-[(3R)-3-acetyloxy-3-(3-acetyloxyphenyl)propyl]-5-chlorobenzoic acid methyl ester IUPAC Name: methyl 2-[(3R)-3-acetyloxy-3-(3-acetyloxyphenyl)propyl]-5-chlorobenzoate Traditional Name: 2-[(3R)-3-acetoxy-3-(3-acetoxyphenyl)propyl]-5-chloro-benzoic acid methyl ester Formula: C21H21ClO6 MolecularWeight: 404.84084

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC(=C1)C(CCC2=C(C=C(C=C2)Cl)C(=O)OC)OC(=O)C

Isomeric SMILES

CC(=O)OC1=CC=CC(=C1)[C@@H](CCC2=C(C=C(C=C2)Cl)C(=O)OC)OC(=O)C

InChI

InChI=1S/C21H21ClO6/c1-13(23)27-18-6-4-5-16(11-18)20(28-14(2)24)10-8-15-7-9-17(22)12-19(15)21(25)26-3/h4-7,9,11-12,20H,8,10H2,1-3H3/t20-/m1/s1