2-(3-sulfophenyl)ethanoic acid

Systemtic Name: 2-(3-sulfophenyl)ethanoic acid Openeye Name: 2-(3-sulfophenyl)acetic acid CAS Name: 2-(3-sulfophenyl)acetic acid IUPAC Name: 2-(3-sulfophenyl)acetic acid Traditional Name: 2-(3-sulfophenyl)acetic acid Formula: C8H8O5S MolecularWeight: 216.21112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)O)CC(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)O)CC(=O)O

InChI

InChI=1S/C8H8O5S/c9-8(10)5-6-2-1-3-7(4-6)14(11,12)13/h1-4H,5H2,(H,9,10)(H,11,12,13)