(3S,4R)-3-[(3,4-dimethoxyphenyl)methylsulfanyl]-4-oxidanyl-cyclohexan-1-one

Systemtic Name: (3S,4R)-3-[(3,4-dimethoxyphenyl)methylsulfanyl]-4-oxidanyl-cyclohexan-1-one Openeye Name: (3S,4R)-3-[(3,4-dimethoxyphenyl)methylsulfanyl]-4-hydroxy-cyclohexanone CAS Name: (3S,4R)-3-[(3,4-dimethoxyphenyl)methylthio]-4-hydroxy-1-cyclohexanone IUPAC Name: (3S,4R)-3-[(3,4-dimethoxyphenyl)methylsulfanyl]-4-hydroxycyclohexan-1-one Traditional Name: (3S,4R)-4-hydroxy-3-(veratrylthio)cyclohexanone Formula: C15H20O4S MolecularWeight: 296.3819

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSC2CC(=O)CCC2O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CS[C@H]2CC(=O)CC[C@H]2O)OC

InChI

InChI=1S/C15H20O4S/c1-18-13-6-3-10(7-14(13)19-2)9-20-15-8-11(16)4-5-12(15)17/h3,6-7,12,15,17H,4-5,8-9H2,1-2H3/t12-,15+/m1/s1