4-[(4-sulfophenyl)methyl]benzenesulfinate

Systemtic Name: 4-[(4-sulfophenyl)methyl]benzenesulfinate Openeye Name: 4-[(4-sulfophenyl)methyl]benzenesulfinate CAS Name: 4-[(4-sulfophenyl)methyl]benzenesulfinate IUPAC Name: 4-[(4-sulfophenyl)methyl]benzenesulfinate Traditional Name: 4-(4-sulfobenzyl)benzenesulfinate Formula: C13H11O5S2- MolecularWeight: 311.35344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=CC=C(C=C2)S(=O)(=O)O)S(=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CC2=CC=C(C=C2)S(=O)(=O)O)S(=O)[O-]

InChI

InChI=1S/C13H12O5S2/c14-19(15)12-5-1-10(2-6-12)9-11-3-7-13(8-4-11)20(16,17)18/h1-8H,9H2,(H,14,15)(H,16,17,18)/p-1