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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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