[5-chloranyl-3-(2-methylphenyl)carbonyloxy-2-oxidanyl-5-oxidanylidene-pentyl] 2-methylbenzoate

Systemtic Name: [5-chloranyl-3-(2-methylphenyl)carbonyloxy-2-oxidanyl-5-oxidanylidene-pentyl] 2-methylbenzoate Openeye Name: [5-chloro-2-hydroxy-3-(2-methylbenzoyl)oxy-5-oxo-pentyl] 2-methylbenzoate CAS Name: 2-methylbenzoic acid [5-chloro-2-hydroxy-3-[(2-methylphenyl)-oxomethoxy]-5-oxopentyl] ester IUPAC Name: [5-chloro-2-hydroxy-3-(2-methylbenzoyl)oxy-5-oxopentyl] 2-methylbenzoate Traditional Name: 2-methylbenzoic acid (5-chloro-2-hydroxy-5-keto-3-o-toluoyloxy-pentyl) ester Formula: C21H21ClO6 MolecularWeight: 404.84084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)OCC(C(CC(=O)Cl)OC(=O)C2=CC=CC=C2C)O

Isomeric SMILES

CC1=CC=CC=C1C(=O)OCC(C(CC(=O)Cl)OC(=O)C2=CC=CC=C2C)O

InChI

InChI=1S/C21H21ClO6/c1-13-7-3-5-9-15(13)20(25)27-12-17(23)18(11-19(22)24)28-21(26)16-10-6-4-8-14(16)2/h3-10,17-18,23H,11-12H2,1-2H3