methyl 3-(3-oxidanylcyclohexyl)sulfanyl-2-propanoyl-benzoate

Systemtic Name: methyl 3-(3-oxidanylcyclohexyl)sulfanyl-2-propanoyl-benzoate Openeye Name: methyl 3-(3-hydroxycyclohexyl)sulfanyl-2-propanoyl-benzoate CAS Name: 3-[(3-hydroxycyclohexyl)thio]-2-(1-oxopropyl)benzoic acid methyl ester IUPAC Name: methyl 3-(3-hydroxycyclohexyl)sulfanyl-2-propanoylbenzoate Traditional Name: 3-[(3-hydroxycyclohexyl)thio]-2-propionyl-benzoic acid methyl ester Formula: C17H22O4S MolecularWeight: 322.41918

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(C=CC=C1SC2CCCC(C2)O)C(=O)OC

Isomeric SMILES

CCC(=O)C1=C(C=CC=C1SC2CCCC(C2)O)C(=O)OC

InChI

InChI=1S/C17H22O4S/c1-3-14(19)16-13(17(20)21-2)8-5-9-15(16)22-12-7-4-6-11(18)10-12/h5,8-9,11-12,18H,3-4,6-7,10H2,1-2H3