2-oxidanylidene-2-[3-(2-sulfoethanoyl)phenyl]ethanesulfonic acid

Systemtic Name: 2-oxidanylidene-2-[3-(2-sulfoethanoyl)phenyl]ethanesulfonic acid Openeye Name: 2-oxo-2-[3-(2-sulfoacetyl)phenyl]ethanesulfonic acid CAS Name: 2-oxo-2-[3-(1-oxo-2-sulfoethyl)phenyl]ethanesulfonic acid IUPAC Name: 2-oxo-2-[3-(2-sulfoacetyl)phenyl]ethanesulfonic acid Traditional Name: 2-keto-2-[3-(2-sulfoacetyl)phenyl]ethanesulfonic acid Formula: C10H10O8S2 MolecularWeight: 322.3116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)CS(=O)(=O)O)C(=O)CS(=O)(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)CS(=O)(=O)O)C(=O)CS(=O)(=O)O

InChI

InChI=1S/C10H10O8S2/c11-9(5-19(13,14)15)7-2-1-3-8(4-7)10(12)6-20(16,17)18/h1-4H,5-6H2,(H,13,14,15)(H,16,17,18)