3-[4-(2-chloranyl-1-oxidanyl-cyclohexyl)carbonylphenyl]-2-methyl-3-oxidanylidene-propanal

Systemtic Name: 3-[4-(2-chloranyl-1-oxidanyl-cyclohexyl)carbonylphenyl]-2-methyl-3-oxidanylidene-propanal Openeye Name: 3-[4-(2-chloro-1-hydroxy-cyclohexanecarbonyl)phenyl]-2-methyl-3-oxo-propanal CAS Name: 3-[4-[(2-chloro-1-hydroxycyclohexyl)-oxomethyl]phenyl]-2-methyl-3-oxopropanal IUPAC Name: 3-[4-(2-chloro-1-hydroxycyclohexanecarbonyl)phenyl]-2-methyl-3-oxopropanal Traditional Name: 3-[4-(2-chloro-1-hydroxy-cyclohexanecarbonyl)phenyl]-3-keto-2-methyl-propionaldehyde Formula: C17H19ClO4 MolecularWeight: 322.78336

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Descriptors Computed from Structure

Canonical SMILES:

CC(C=O)C(=O)C1=CC=C(C=C1)C(=O)C2(CCCCC2Cl)O

Isomeric SMILES

CC(C=O)C(=O)C1=CC=C(C=C1)C(=O)C2(CCCCC2Cl)O

InChI

InChI=1S/C17H19ClO4/c1-11(10-19)15(20)12-5-7-13(8-6-12)16(21)17(22)9-3-2-4-14(17)18/h5-8,10-11,14,22H,2-4,9H2,1H3