2-[2-(phenylsulfonyl)ethylsulfanyl]ethanoic acid

Systemtic Name: 2-[2-(phenylsulfonyl)ethylsulfanyl]ethanoic acid Openeye Name: 2-[2-(benzenesulfonyl)ethylsulfanyl]acetic acid CAS Name: 2-[2-(benzenesulfonyl)ethylthio]acetic acid IUPAC Name: 2-[2-(benzenesulfonyl)ethylsulfanyl]acetic acid Traditional Name: 2-(2-besylethylthio)acetic acid Formula: C10H12O4S2 MolecularWeight: 260.32988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)CCSCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)CCSCC(=O)O

InChI

InChI=1S/C10H12O4S2/c11-10(12)8-15-6-7-16(13,14)9-4-2-1-3-5-9/h1-5H,6-8H2,(H,11,12)