sodium 4-[(Z)-(2-oxidanylidene-1H-pyrrolo[2,3-b]pyridin-3-ylidene)methyl]benzenesulfonate

Systemtic Name: sodium 4-[(Z)-(2-oxidanylidene-1H-pyrrolo[2,3-b]pyridin-3-ylidene)methyl]benzenesulfonate Openeye Name: sodium 4-[(Z)-(2-oxo-1H-pyrrolo[2,3-b]pyridin-3-ylidene)methyl]benzenesulfonate CAS Name: sodium 4-[(Z)-(2-oxo-1H-pyrrolo[2,3-b]pyridin-3-ylidene)methyl]benzenesulfonate IUPAC Name: sodium 4-[(Z)-(2-oxo-1H-pyrrolo[2,3-b]pyridin-3-ylidene)methyl]benzenesulfonate Traditional Name: sodium 4-[(Z)-(2-keto-1H-pyrrolo[2,3-b]pyridin-3-ylidene)methyl]besylate Formula: C14H9N2NaO4S MolecularWeight: 324.28703

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(NC(=O)C2=CC3=CC=C(C=C3)S(=O)(=O)[O-])N=C1.[Na+]

Isomeric SMILES

C1=CC\2=C(NC(=O)/C2=C\C3=CC=C(C=C3)S(=O)(=O)[O-])N=C1.[Na+]

InChI

InChI=1S/C14H10N2O4S.Na/c17-14-12(11-2-1-7-15-13(11)16-14)8-9-3-5-10(6-4-9)21(18,19)20;/h1-8H,(H,15,16,17)(H,18,19,20);/q;+1/p-1/b12-8-;