2-(3-naphthalen-2-ylsulfanyl-2-oxidanyl-3-phenyl-propoxy)ethanoic acid

Systemtic Name: 2-(3-naphthalen-2-ylsulfanyl-2-oxidanyl-3-phenyl-propoxy)ethanoic acid Openeye Name: 2-[2-hydroxy-3-(2-naphthylsulfanyl)-3-phenyl-propoxy]acetic acid CAS Name: 2-[2-hydroxy-3-(2-naphthalenylthio)-3-phenylpropoxy]acetic acid IUPAC Name: 2-(2-hydroxy-3-naphthalen-2-ylsulfanyl-3-phenylpropoxy)acetic acid Traditional Name: 2-[2-hydroxy-3-(2-naphthylthio)-3-phenyl-propoxy]acetic acid Formula: C21H20O4S MolecularWeight: 368.4461

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(COCC(=O)O)O)SC2=CC3=CC=CC=C3C=C2

Isomeric SMILES

C1=CC=C(C=C1)C(C(COCC(=O)O)O)SC2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C21H20O4S/c22-19(13-25-14-20(23)24)21(16-7-2-1-3-8-16)26-18-11-10-15-6-4-5-9-17(15)12-18/h1-12,19,21-22H,13-14H2,(H,23,24)