[(4R)-4-(4-methoxy-3-oxidanyl-phenyl)-3,3-dimethyl-4-oxidanyl-butyl] 2-sulfanylethanoate

Systemtic Name: [(4R)-4-(4-methoxy-3-oxidanyl-phenyl)-3,3-dimethyl-4-oxidanyl-butyl] 2-sulfanylethanoate Openeye Name: [(4R)-4-hydroxy-4-(3-hydroxy-4-methoxy-phenyl)-3,3-dimethyl-butyl] 2-sulfanylacetate CAS Name: 2-mercaptoacetic acid [(4R)-4-hydroxy-4-(3-hydroxy-4-methoxyphenyl)-3,3-dimethylbutyl] ester IUPAC Name: [(4R)-4-hydroxy-4-(3-hydroxy-4-methoxyphenyl)-3,3-dimethylbutyl] 2-sulfanylacetate Traditional Name: 2-mercaptoacetic acid [(4R)-4-hydroxy-4-(3-hydroxy-4-methoxy-phenyl)-3,3-dimethyl-butyl] ester Formula: C15H22O5S MolecularWeight: 314.39718

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCOC(=O)CS)C(C1=CC(=C(C=C1)OC)O)O

Isomeric SMILES

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

InChI

InChI=1S/C15H22O5S/c1-15(2,6-7-20-13(17)9-21)14(18)10-4-5-12(19-3)11(16)8-10/h4-5,8,14,16,18,21H,6-7,9H2,1-3H3/t14-/m0/s1