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

Systemtic Name: [(3S,4S)-3-ethoxy-4-oxidanyl-4-(4-oxidanylnaphthalen-1-yl)butyl] 2-sulfanylethanoate Openeye Name: [(3S,4S)-3-ethoxy-4-hydroxy-4-(4-hydroxy-1-naphthyl)butyl] 2-sulfanylacetate CAS Name: 2-mercaptoacetic acid [(3S,4S)-3-ethoxy-4-hydroxy-4-(4-hydroxy-1-naphthalenyl)butyl] ester IUPAC Name: [(3S,4S)-3-ethoxy-4-hydroxy-4-(4-hydroxynaphthalen-1-yl)butyl] 2-sulfanylacetate Traditional Name: 2-mercaptoacetic acid [(3S,4S)-3-ethoxy-4-hydroxy-4-(4-hydroxy-1-naphthyl)butyl] ester Formula: C18H22O5S MolecularWeight: 350.42928

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CCOC(=O)CS)C(C1=CC=C(C2=CC=CC=C21)O)O

Isomeric SMILES

CCO[C@@H](CCOC(=O)CS)[C@H](C1=CC=C(C2=CC=CC=C21)O)O

InChI

InChI=1S/C18H22O5S/c1-2-22-16(9-10-23-17(20)11-24)18(21)14-7-8-15(19)13-6-4-3-5-12(13)14/h3-8,16,18-19,21,24H,2,9-11H2,1H3/t16-,18-/m0/s1