(1R,2S)-2-(3,4-diethoxyphenyl)carbonylcyclohexane-1-carboxylic acid

Systemtic Name: (1R,2S)-2-(3,4-diethoxyphenyl)carbonylcyclohexane-1-carboxylic acid Openeye Name: (1R,2S)-2-(3,4-diethoxybenzoyl)cyclohexanecarboxylic acid CAS Name: (1R,2S)-2-[(3,4-diethoxyphenyl)-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: (1R,2S)-2-(3,4-diethoxybenzoyl)cyclohexane-1-carboxylic acid Traditional Name: (1R,2S)-2-(3,4-diethoxybenzoyl)cyclohexanecarboxylic acid Formula: C18H24O5 MolecularWeight: 320.38016

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C2CCCCC2C(=O)O)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)[C@H]2CCCC[C@H]2C(=O)O)OCC

InChI

InChI=1S/C18H24O5/c1-3-22-15-10-9-12(11-16(15)23-4-2)17(19)13-7-5-6-8-14(13)18(20)21/h9-11,13-14H,3-8H2,1-2H3,(H,20,21)/t13-,14+/m0/s1