[1-(3-chloranyl-5-methyl-phenyl)-4-oxidanylidene-cyclohexyl]methyl propanoate

Systemtic Name: [1-(3-chloranyl-5-methyl-phenyl)-4-oxidanylidene-cyclohexyl]methyl propanoate Openeye Name: [1-(3-chloro-5-methyl-phenyl)-4-oxo-cyclohexyl]methyl propanoate CAS Name: propanoic acid [1-(3-chloro-5-methylphenyl)-4-oxocyclohexyl]methyl ester IUPAC Name: [1-(3-chloro-5-methylphenyl)-4-oxocyclohexyl]methyl propanoate Traditional Name: propionic acid [1-(3-chloro-5-methyl-phenyl)-4-keto-cyclohexyl]methyl ester Formula: C17H21ClO3 MolecularWeight: 308.79984

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OCC1(CCC(=O)CC1)C2=CC(=CC(=C2)Cl)C

Isomeric SMILES

CCC(=O)OCC1(CCC(=O)CC1)C2=CC(=CC(=C2)Cl)C

InChI

InChI=1S/C17H21ClO3/c1-3-16(20)21-11-17(6-4-15(19)5-7-17)13-8-12(2)9-14(18)10-13/h8-10H,3-7,11H2,1-2H3