2-(2-oxidanyl-3-phenoxy-propyl)sulfanylbenzoic acid

Systemtic Name: 2-(2-oxidanyl-3-phenoxy-propyl)sulfanylbenzoic acid Openeye Name: 2-(2-hydroxy-3-phenoxy-propyl)sulfanylbenzoic acid CAS Name: 2-[(2-hydroxy-3-phenoxypropyl)thio]benzoic acid IUPAC Name: 2-(2-hydroxy-3-phenoxypropyl)sulfanylbenzoic acid Traditional Name: 2-[(2-hydroxy-3-phenoxy-propyl)thio]benzoic acid Formula: C16H16O4S MolecularWeight: 304.36084

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC(CSC2=CC=CC=C2C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)OCC(CSC2=CC=CC=C2C(=O)O)O

InChI

InChI=1S/C16H16O4S/c17-12(10-20-13-6-2-1-3-7-13)11-21-15-9-5-4-8-14(15)16(18)19/h1-9,12,17H,10-11H2,(H,18,19)