3-(2-cyclohexylethylsulfanyl)benzoic acid

Systemtic Name: 3-(2-cyclohexylethylsulfanyl)benzoic acid Openeye Name: 3-(2-cyclohexylethylsulfanyl)benzoic acid CAS Name: 3-(2-cyclohexylethylthio)benzoic acid IUPAC Name: 3-(2-cyclohexylethylsulfanyl)benzoic acid Traditional Name: 3-(2-cyclohexylethylthio)benzoic acid Formula: C15H20O2S MolecularWeight: 264.3831

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCSC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

C1CCC(CC1)CCSC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C15H20O2S/c16-15(17)13-7-4-8-14(11-13)18-10-9-12-5-2-1-3-6-12/h4,7-8,11-12H,1-3,5-6,9-10H2,(H,16,17)