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2-(cyclohexylmethyl)-3-(phenylmethylsulfanyl)propanoic acid

2-(cyclohexylmethyl)-3-(phenylmethylsulfanyl)propanoic acid

Systemtic Name:2-(cyclohexylmethyl)-3-(phenylmethylsulfanyl)propanoic acid
Openeye Name:2-(benzylsulfanylmethyl)-3-cyclohexyl-propanoic acid
CAS Name:2-(cyclohexylmethyl)-3-(phenylmethylthio)propanoic acid
IUPAC Name:2-(benzylsulfanylmethyl)-3-cyclohexylpropanoic acid
Traditional Name:2-[(benzylthio)methyl]-3-cyclohexyl-propionic acid
Formula: C17H24O2S
MolecularWeight: 292.43626
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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(CSCC2=CC=CC=C2)C(=O)O


Isomeric SMILES

C1CCC(CC1)CC(CSCC2=CC=CC=C2)C(=O)O


InChI

InChI=1S/C17H24O2S/c18-17(19)16(11-14-7-3-1-4-8-14)13-20-12-15-9-5-2-6-10-15/h2,5-6,9-10,14,16H,1,3-4,7-8,11-13H2,(H,18,19)


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