3-[3-(2-hydroxyethylsulfanylmethyl)phenyl]benzoic acid

Systemtic Name: 3-[3-(2-hydroxyethylsulfanylmethyl)phenyl]benzoic acid Openeye Name: 3-[3-(2-hydroxyethylsulfanylmethyl)phenyl]benzoic acid CAS Name: 3-[3-[(2-hydroxyethylthio)methyl]phenyl]benzoic acid IUPAC Name: 3-[3-(2-hydroxyethylsulfanylmethyl)phenyl]benzoic acid Traditional Name: 3-[3-[(2-hydroxyethylthio)methyl]phenyl]benzoic acid Formula: C16H16O3S MolecularWeight: 288.36144

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CSCCO)C2=CC(=CC=C2)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)CSCCO)C2=CC(=CC=C2)C(=O)O

InChI

InChI=1S/C16H16O3S/c17-7-8-20-11-12-3-1-4-13(9-12)14-5-2-6-15(10-14)16(18)19/h1-6,9-10,17H,7-8,11H2,(H,18,19)