3-(cyclohexylsulfanylmethyl)benzoic acid

Systemtic Name: 3-(cyclohexylsulfanylmethyl)benzoic acid Openeye Name: 3-(cyclohexylsulfanylmethyl)benzoic acid CAS Name: 3-[(cyclohexylthio)methyl]benzoic acid IUPAC Name: 3-(cyclohexylsulfanylmethyl)benzoic acid Traditional Name: 3-[(cyclohexylthio)methyl]benzoic acid Formula: C14H18O2S MolecularWeight: 250.35652

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)SCC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

C1CCC(CC1)SCC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C14H18O2S/c15-14(16)12-6-4-5-11(9-12)10-17-13-7-2-1-3-8-13/h4-6,9,13H,1-3,7-8,10H2,(H,15,16)