2-(3-chloranyl-4-cyclohexyl-phenyl)-2-propanoylsulfanyl-ethanoic acid

Systemtic Name: 2-(3-chloranyl-4-cyclohexyl-phenyl)-2-propanoylsulfanyl-ethanoic acid Openeye Name: 2-(3-chloro-4-cyclohexyl-phenyl)-2-propanoylsulfanyl-acetic acid CAS Name: 2-(3-chloro-4-cyclohexylphenyl)-2-(1-oxopropylthio)acetic acid IUPAC Name: 2-(3-chloro-4-cyclohexylphenyl)-2-propanoylsulfanylacetic acid Traditional Name: 2-(3-chloro-4-cyclohexyl-phenyl)-2-(propionylthio)acetic acid Formula: C17H21ClO3S MolecularWeight: 340.86484

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)SC(C1=CC(=C(C=C1)C2CCCCC2)Cl)C(=O)O

Isomeric SMILES

CCC(=O)SC(C1=CC(=C(C=C1)C2CCCCC2)Cl)C(=O)O

InChI

InChI=1S/C17H21ClO3S/c1-2-15(19)22-16(17(20)21)12-8-9-13(14(18)10-12)11-6-4-3-5-7-11/h8-11,16H,2-7H2,1H3,(H,20,21)