[(3S,4S)-4-oxidanyl-4-(4-oxidanylnaphthalen-1-yl)-3-phenoxy-butyl] 2-sulfanylethanoate

Systemtic Name: [(3S,4S)-4-oxidanyl-4-(4-oxidanylnaphthalen-1-yl)-3-phenoxy-butyl] 2-sulfanylethanoate Openeye Name: [(3S,4S)-4-hydroxy-4-(4-hydroxy-1-naphthyl)-3-phenoxy-butyl] 2-sulfanylacetate CAS Name: 2-mercaptoacetic acid [(3S,4S)-4-hydroxy-4-(4-hydroxy-1-naphthalenyl)-3-phenoxybutyl] ester IUPAC Name: [(3S,4S)-4-hydroxy-4-(4-hydroxynaphthalen-1-yl)-3-phenoxybutyl] 2-sulfanylacetate Traditional Name: 2-mercaptoacetic acid [(3S,4S)-4-hydroxy-4-(4-hydroxy-1-naphthyl)-3-phenoxy-butyl] ester Formula: C22H22O5S MolecularWeight: 398.47208

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC(CCOC(=O)CS)C(C2=CC=C(C3=CC=CC=C32)O)O

Isomeric SMILES

C1=CC=C(C=C1)O[C@@H](CCOC(=O)CS)[C@H](C2=CC=C(C3=CC=CC=C32)O)O

InChI

InChI=1S/C22H22O5S/c23-19-11-10-18(16-8-4-5-9-17(16)19)22(25)20(12-13-26-21(24)14-28)27-15-6-2-1-3-7-15/h1-11,20,22-23,25,28H,12-14H2/t20-,22-/m0/s1