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

Systemtic Name: [(3R,4S)-4-(4-methoxy-3-oxidanyl-phenyl)-3-methyl-4-oxidanyl-butyl] 2-sulfanylethanoate Openeye Name: [(3R,4S)-4-hydroxy-4-(3-hydroxy-4-methoxy-phenyl)-3-methyl-butyl] 2-sulfanylacetate CAS Name: 2-mercaptoacetic acid [(3R,4S)-4-hydroxy-4-(3-hydroxy-4-methoxyphenyl)-3-methylbutyl] ester IUPAC Name: [(3R,4S)-4-hydroxy-4-(3-hydroxy-4-methoxyphenyl)-3-methylbutyl] 2-sulfanylacetate Traditional Name: 2-mercaptoacetic acid [(3R,4S)-4-hydroxy-4-(3-hydroxy-4-methoxy-phenyl)-3-methyl-butyl] ester Formula: C14H20O5S MolecularWeight: 300.3706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20O5S/c1-9(5-6-19-13(16)8-20)14(17)10-3-4-12(18-2)11(15)7-10/h3-4,7,9,14-15,17,20H,5-6,8H2,1-2H3/t9-,14+/m1/s1