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

Systemtic Name: [(3S,4S)-4-(4-methoxy-3-oxidanyl-phenyl)-4-oxidanyl-3-phenoxy-butyl] 2-sulfanylethanoate Openeye Name: [(3S,4S)-4-hydroxy-4-(3-hydroxy-4-methoxy-phenyl)-3-phenoxy-butyl] 2-sulfanylacetate CAS Name: 2-mercaptoacetic acid [(3S,4S)-4-hydroxy-4-(3-hydroxy-4-methoxyphenyl)-3-phenoxybutyl] ester IUPAC Name: [(3S,4S)-4-hydroxy-4-(3-hydroxy-4-methoxyphenyl)-3-phenoxybutyl] 2-sulfanylacetate Traditional Name: 2-mercaptoacetic acid [(3S,4S)-4-hydroxy-4-(3-hydroxy-4-methoxy-phenyl)-3-phenoxy-butyl] ester Formula: C19H22O6S MolecularWeight: 378.43938

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C(CCOC(=O)CS)OC2=CC=CC=C2)O)O

Isomeric SMILES

COC1=C(C=C(C=C1)[C@@H]([C@H](CCOC(=O)CS)OC2=CC=CC=C2)O)O

InChI

InChI=1S/C19H22O6S/c1-23-16-8-7-13(11-15(16)20)19(22)17(9-10-24-18(21)12-26)25-14-5-3-2-4-6-14/h2-8,11,17,19-20,22,26H,9-10,12H2,1H3/t17-,19-/m0/s1