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

Systemtic Name: [(3R,4R)-3-methoxy-4-(4-methoxy-3-oxidanyl-phenyl)-4-oxidanyl-butyl] 2-sulfanylethanoate Openeye Name: [(3R,4R)-4-hydroxy-4-(3-hydroxy-4-methoxy-phenyl)-3-methoxy-butyl] 2-sulfanylacetate CAS Name: 2-mercaptoacetic acid [(3R,4R)-4-hydroxy-4-(3-hydroxy-4-methoxyphenyl)-3-methoxybutyl] ester IUPAC Name: [(3R,4R)-4-hydroxy-4-(3-hydroxy-4-methoxyphenyl)-3-methoxybutyl] 2-sulfanylacetate Traditional Name: 2-mercaptoacetic acid [(3R,4R)-4-hydroxy-4-(3-hydroxy-4-methoxy-phenyl)-3-methoxy-butyl] ester Formula: C14H20O6S MolecularWeight: 316.37

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C(CCOC(=O)CS)OC)O)O

Isomeric SMILES

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

InChI

InChI=1S/C14H20O6S/c1-18-11-4-3-9(7-10(11)15)14(17)12(19-2)5-6-20-13(16)8-21/h3-4,7,12,14-15,17,21H,5-6,8H2,1-2H3/t12-,14-/m1/s1