(1R,2S)-2-[(Z)-2-(4-methylsulfanylphenyl)ethenyl]cyclohexane-1-carboxylic acid

Systemtic Name: (1R,2S)-2-[(Z)-2-(4-methylsulfanylphenyl)ethenyl]cyclohexane-1-carboxylic acid Openeye Name: (1R,2S)-2-[(Z)-2-(4-methylsulfanylphenyl)vinyl]cyclohexanecarboxylic acid CAS Name: (1R,2S)-2-[(Z)-2-[4-(methylthio)phenyl]ethenyl]-1-cyclohexanecarboxylic acid IUPAC Name: (1R,2S)-2-[(Z)-2-(4-methylsulfanylphenyl)ethenyl]cyclohexane-1-carboxylic acid Traditional Name: (1R,2S)-2-[(Z)-2-[4-(methylthio)phenyl]vinyl]cyclohexanecarboxylic acid Formula: C16H20O2S MolecularWeight: 276.3938

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C=CC2CCCCC2C(=O)O

Isomeric SMILES

CSC1=CC=C(C=C1)/C=C\[C@@H]2CCCC[C@H]2C(=O)O

InChI

InChI=1S/C16H20O2S/c1-19-14-10-7-12(8-11-14)6-9-13-4-2-3-5-15(13)16(17)18/h6-11,13,15H,2-5H2,1H3,(H,17,18)/b9-6-/t13-,15+/m0/s1