2-(cyclohexylsulfanylmethyl)-3-phenyl-propanoic acid

Systemtic Name: 2-(cyclohexylsulfanylmethyl)-3-phenyl-propanoic acid Openeye Name: 2-benzyl-3-cyclohexylsulfanyl-propanoic acid CAS Name: 2-[(cyclohexylthio)methyl]-3-phenylpropanoic acid IUPAC Name: 2-benzyl-3-cyclohexylsulfanylpropanoic acid Traditional Name: 2-benzyl-3-(cyclohexylthio)propionic acid Formula: C16H22O2S MolecularWeight: 278.40968

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)SCC(CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

C1CCC(CC1)SCC(CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C16H22O2S/c17-16(18)14(11-13-7-3-1-4-8-13)12-19-15-9-5-2-6-10-15/h1,3-4,7-8,14-15H,2,5-6,9-12H2,(H,17,18)