2-azanyl-4-phenylsulfanyl-cyclohexane-1-carboxylic acid

Systemtic Name: 2-azanyl-4-phenylsulfanyl-cyclohexane-1-carboxylic acid Openeye Name: 2-amino-4-phenylsulfanyl-cyclohexanecarboxylic acid CAS Name: 2-amino-4-(phenylthio)-1-cyclohexanecarboxylic acid IUPAC Name: 2-amino-4-phenylsulfanylcyclohexane-1-carboxylic acid Traditional Name: 2-amino-4-(phenylthio)cyclohexanecarboxylic acid Formula: C13H17NO2S MolecularWeight: 251.34458

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(CC1SC2=CC=CC=C2)N)C(=O)O

Isomeric SMILES

C1CC(C(CC1SC2=CC=CC=C2)N)C(=O)O

InChI

InChI=1S/C13H17NO2S/c14-12-8-10(6-7-11(12)13(15)16)17-9-4-2-1-3-5-9/h1-5,10-12H,6-8,14H2,(H,15,16)