(1R,6S)-6-(3-chloranyl-4-ethoxy-phenyl)carbonylcyclohex-3-ene-1-carboxylic acid

Systemtic Name: (1R,6S)-6-(3-chloranyl-4-ethoxy-phenyl)carbonylcyclohex-3-ene-1-carboxylic acid Openeye Name: (1R,6S)-6-(3-chloro-4-ethoxy-benzoyl)cyclohex-3-ene-1-carboxylic acid CAS Name: (1R,6S)-6-[(3-chloro-4-ethoxyphenyl)-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: (1R,6S)-6-(3-chloro-4-ethoxybenzoyl)cyclohex-3-ene-1-carboxylic acid Traditional Name: (1R,6S)-6-(3-chloro-4-ethoxy-benzoyl)cyclohex-3-ene-1-carboxylic acid Formula: C16H17ClO4 MolecularWeight: 308.75678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C2CC=CCC2C(=O)O)Cl

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)[C@H]2CC=CC[C@H]2C(=O)O)Cl

InChI

InChI=1S/C16H17ClO4/c1-2-21-14-8-7-10(9-13(14)17)15(18)11-5-3-4-6-12(11)16(19)20/h3-4,7-9,11-12H,2,5-6H2,1H3,(H,19,20)/t11-,12+/m0/s1