4-(4-cyclohexyl-3-methylsulfanyl-phenyl)-2-oxidanyl-butanoate

Systemtic Name: 4-(4-cyclohexyl-3-methylsulfanyl-phenyl)-2-oxidanyl-butanoate Openeye Name: 4-(4-cyclohexyl-3-methylsulfanyl-phenyl)-2-hydroxy-butanoate CAS Name: 4-[4-cyclohexyl-3-(methylthio)phenyl]-2-hydroxybutanoate IUPAC Name: 4-(4-cyclohexyl-3-methylsulfanylphenyl)-2-hydroxybutanoate Traditional Name: 4-[4-cyclohexyl-3-(methylthio)phenyl]-2-hydroxy-butyrate Formula: C17H23O3S- MolecularWeight: 307.42772

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC(=C1)CCC(C(=O)[O-])O)C2CCCCC2

Isomeric SMILES

CSC1=C(C=CC(=C1)CCC(C(=O)[O-])O)C2CCCCC2

InChI

InChI=1S/C17H24O3S/c1-21-16-11-12(8-10-15(18)17(19)20)7-9-14(16)13-5-3-2-4-6-13/h7,9,11,13,15,18H,2-6,8,10H2,1H3,(H,19,20)/p-1