2-[2-(3,4-dimethoxyphenyl)cyclohexyl]sulfanylethanoic acid

Systemtic Name: 2-[2-(3,4-dimethoxyphenyl)cyclohexyl]sulfanylethanoic acid Openeye Name: 2-[2-(3,4-dimethoxyphenyl)cyclohexyl]sulfanylacetic acid CAS Name: 2-[[2-(3,4-dimethoxyphenyl)cyclohexyl]thio]acetic acid IUPAC Name: 2-[2-(3,4-dimethoxyphenyl)cyclohexyl]sulfanylacetic acid Traditional Name: 2-[[2-(3,4-dimethoxyphenyl)cyclohexyl]thio]acetic acid Formula: C16H22O4S MolecularWeight: 310.40848

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2CCCCC2SCC(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2CCCCC2SCC(=O)O)OC

InChI

InChI=1S/C16H22O4S/c1-19-13-8-7-11(9-14(13)20-2)12-5-3-4-6-15(12)21-10-16(17)18/h7-9,12,15H,3-6,10H2,1-2H3,(H,17,18)