[(1R,2S,4S)-2-[(3,4-dimethoxyphenyl)methylsulfanyl]-4-oxidanyl-cyclohexyl] ethanoate

Systemtic Name: [(1R,2S,4S)-2-[(3,4-dimethoxyphenyl)methylsulfanyl]-4-oxidanyl-cyclohexyl] ethanoate Openeye Name: [(1R,2S,4S)-2-[(3,4-dimethoxyphenyl)methylsulfanyl]-4-hydroxy-cyclohexyl] acetate CAS Name: acetic acid [(1R,2S,4S)-2-[(3,4-dimethoxyphenyl)methylthio]-4-hydroxycyclohexyl] ester IUPAC Name: [(1R,2S,4S)-2-[(3,4-dimethoxyphenyl)methylsulfanyl]-4-hydroxycyclohexyl] acetate Traditional Name: acetic acid [(1R,2S,4S)-4-hydroxy-2-(veratrylthio)cyclohexyl] ester Formula: C17H24O5S MolecularWeight: 340.43446

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CCC(CC1SCC2=CC(=C(C=C2)OC)OC)O

Isomeric SMILES

CC(=O)O[C@@H]1CC[C@@H](C[C@@H]1SCC2=CC(=C(C=C2)OC)OC)O

InChI

InChI=1S/C17H24O5S/c1-11(18)22-15-7-5-13(19)9-17(15)23-10-12-4-6-14(20-2)16(8-12)21-3/h4,6,8,13,15,17,19H,5,7,9-10H2,1-3H3/t13-,15+,17-/m0/s1