methyl 4-(3-oxidanylcyclohexyl)sulfanyl-3-propanoyl-benzoate

Systemtic Name: methyl 4-(3-oxidanylcyclohexyl)sulfanyl-3-propanoyl-benzoate Openeye Name: methyl 4-(3-hydroxycyclohexyl)sulfanyl-3-propanoyl-benzoate CAS Name: 4-[(3-hydroxycyclohexyl)thio]-3-(1-oxopropyl)benzoic acid methyl ester IUPAC Name: methyl 4-(3-hydroxycyclohexyl)sulfanyl-3-propanoylbenzoate Traditional Name: 4-[(3-hydroxycyclohexyl)thio]-3-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(=C1)C(=O)OC)SC2CCCC(C2)O

Isomeric SMILES

CCC(=O)C1=C(C=CC(=C1)C(=O)OC)SC2CCCC(C2)O

InChI

InChI=1S/C17H22O4S/c1-3-15(19)14-9-11(17(20)21-2)7-8-16(14)22-13-6-4-5-12(18)10-13/h7-9,12-13,18H,3-6,10H2,1-2H3