1-(2-chloranyl-3-ethyl-5-methoxy-phenyl)-4-oxidanylidene-cyclohexane-1-carboxylic acid

Systemtic Name: 1-(2-chloranyl-3-ethyl-5-methoxy-phenyl)-4-oxidanylidene-cyclohexane-1-carboxylic acid Openeye Name: 1-(2-chloro-3-ethyl-5-methoxy-phenyl)-4-oxo-cyclohexanecarboxylic acid CAS Name: 1-(2-chloro-3-ethyl-5-methoxyphenyl)-4-oxo-1-cyclohexanecarboxylic acid IUPAC Name: 1-(2-chloro-3-ethyl-5-methoxyphenyl)-4-oxocyclohexane-1-carboxylic acid Traditional Name: 1-(2-chloro-3-ethyl-5-methoxy-phenyl)-4-keto-cyclohexanecarboxylic acid Formula: C16H19ClO4 MolecularWeight: 310.77266

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC(=C1)OC)C2(CCC(=O)CC2)C(=O)O)Cl

Isomeric SMILES

CCC1=C(C(=CC(=C1)OC)C2(CCC(=O)CC2)C(=O)O)Cl

InChI

InChI=1S/C16H19ClO4/c1-3-10-8-12(21-2)9-13(14(10)17)16(15(19)20)6-4-11(18)5-7-16/h8-9H,3-7H2,1-2H3,(H,19,20)