3-cyclohexyl-2-oxidanyl-5-sulfanyl-benzoate

Systemtic Name: 3-cyclohexyl-2-oxidanyl-5-sulfanyl-benzoate Openeye Name: 3-cyclohexyl-2-hydroxy-5-sulfanyl-benzoate CAS Name: 3-cyclohexyl-2-hydroxy-5-mercaptobenzoate IUPAC Name: 3-cyclohexyl-2-hydroxy-5-sulfanylbenzoate Traditional Name: 3-cyclohexyl-2-hydroxy-5-mercapto-benzoate Formula: C13H15O3S- MolecularWeight: 251.3214

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=C(C(=CC(=C2)S)C(=O)[O-])O

Isomeric SMILES

C1CCC(CC1)C2=C(C(=CC(=C2)S)C(=O)[O-])O

InChI

InChI=1S/C13H16O3S/c14-12-10(8-4-2-1-3-5-8)6-9(17)7-11(12)13(15)16/h6-8,14,17H,1-5H2,(H,15,16)/p-1