sodium 1-oxidanylidene-1-[4-[(E)-phenylsulfonyliminomethyl]phenyl]propane-2-sulfonic acid

Systemtic Name: sodium 1-oxidanylidene-1-[4-[(E)-phenylsulfonyliminomethyl]phenyl]propane-2-sulfonic acid Openeye Name: sodium 1-[4-[(E)-benzenesulfonyliminomethyl]phenyl]-1-oxo-propane-2-sulfonic acid CAS Name: sodium 1-[4-[(E)-benzenesulfonyliminomethyl]phenyl]-1-oxo-2-propanesulfonic acid IUPAC Name: sodium 1-[4-[(E)-benzenesulfonyliminomethyl]phenyl]-1-oxopropane-2-sulfonic acid Traditional Name: sodium 1-[4-[(E)-besyliminomethyl]phenyl]-1-keto-propane-2-sulfonic acid Formula: C16H15NNaO6S2+ MolecularWeight: 404.41317

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)C=NS(=O)(=O)C2=CC=CC=C2)S(=O)(=O)O.[Na+]

Isomeric SMILES

CC(C(=O)C1=CC=C(C=C1)/C=N/S(=O)(=O)C2=CC=CC=C2)S(=O)(=O)O.[Na+]

InChI

InChI=1S/C16H15NO6S2.Na/c1-12(25(21,22)23)16(18)14-9-7-13(8-10-14)11-17-24(19,20)15-5-3-2-4-6-15;/h2-12H,1H3,(H,21,22,23);/q;+1/b17-11+;