sodium (E)-3-[4-[(3-sulfamoylphenyl)sulfamoyl]phenyl]prop-2-enoate

Systemtic Name: sodium (E)-3-[4-[(3-sulfamoylphenyl)sulfamoyl]phenyl]prop-2-enoate Openeye Name: sodium (E)-3-[4-[(3-sulfamoylphenyl)sulfamoyl]phenyl]prop-2-enoate CAS Name: sodium (E)-3-[4-[(3-sulfamoylphenyl)sulfamoyl]phenyl]-2-propenoate IUPAC Name: sodium (E)-3-[4-[(3-sulfamoylphenyl)sulfamoyl]phenyl]prop-2-enoate Traditional Name: sodium (E)-3-[4-[(3-sulfamoylphenyl)sulfamoyl]phenyl]acrylate Formula: C15H13N2NaO6S2 MolecularWeight: 404.39329

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14N2O6S2.Na/c16-24(20,21)14-3-1-2-12(10-14)17-25(22,23)13-7-4-11(5-8-13)6-9-15(18)19;/h1-10,17H,(H,18,19)(H2,16,20,21);/q;+1/p-1/b9-6+;