2-phenethylsulfanyl-2-phenoxy-2-(2H-pyran-6-yl)ethanoic acid

Systemtic Name: 2-phenethylsulfanyl-2-phenoxy-2-(2H-pyran-6-yl)ethanoic acid Openeye Name: 2-phenethylsulfanyl-2-phenoxy-2-(2H-pyran-6-yl)acetic acid CAS Name: 2-(phenethylthio)-2-phenoxy-2-(2H-pyran-6-yl)acetic acid IUPAC Name: 2-phenethylsulfanyl-2-phenoxy-2-(2H-pyran-6-yl)acetic acid Traditional Name: 2-(phenethylthio)-2-phenoxy-2-(2H-pyran-6-yl)acetic acid Formula: C21H20O4S MolecularWeight: 368.4461

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC=C(O1)C(C(=O)O)(OC2=CC=CC=C2)SCCC3=CC=CC=C3

Isomeric SMILES

C1C=CC=C(O1)C(C(=O)O)(OC2=CC=CC=C2)SCCC3=CC=CC=C3

InChI

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