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

Systemtic Name: [(3R,4R)-3-ethoxy-4-(4-methoxy-3-oxidanyl-phenyl)-4-oxidanyl-butyl] 2-sulfanylethanoate Openeye Name: [(3R,4R)-3-ethoxy-4-hydroxy-4-(3-hydroxy-4-methoxy-phenyl)butyl] 2-sulfanylacetate CAS Name: 2-mercaptoacetic acid [(3R,4R)-3-ethoxy-4-hydroxy-4-(3-hydroxy-4-methoxyphenyl)butyl] ester IUPAC Name: [(3R,4R)-3-ethoxy-4-hydroxy-4-(3-hydroxy-4-methoxyphenyl)butyl] 2-sulfanylacetate Traditional Name: 2-mercaptoacetic acid [(3R,4R)-3-ethoxy-4-hydroxy-4-(3-hydroxy-4-methoxy-phenyl)butyl] ester Formula: C15H22O6S MolecularWeight: 330.39658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22O6S/c1-3-20-13(6-7-21-14(17)9-22)15(18)10-4-5-12(19-2)11(16)8-10/h4-5,8,13,15-16,18,22H,3,6-7,9H2,1-2H3/t13-,15-/m1/s1