sodium (E)-1,3-bis(4-azidophenyl)-3-oxidanylidene-prop-1-ene-2-sulfonate

Systemtic Name: sodium (E)-1,3-bis(4-azidophenyl)-3-oxidanylidene-prop-1-ene-2-sulfonate Openeye Name: sodium (E)-1,3-bis(4-azidophenyl)-3-oxo-prop-1-ene-2-sulfonate CAS Name: sodium (E)-1,3-bis(4-azidophenyl)-3-oxo-1-propene-2-sulfonate IUPAC Name: sodium (E)-1,3-bis(4-azidophenyl)-3-oxoprop-1-ene-2-sulfonate Traditional Name: sodium (E)-1,3-bis(4-azidophenyl)-3-keto-prop-1-ene-2-sulfonate Formula: C15H9N6NaO4S MolecularWeight: 392.32453

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=C(C(=O)C2=CC=C(C=C2)N=[N+]=[N-])S(=O)(=O)[O-])N=[N+]=[N-].[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C15H10N6O4S.Na/c16-20-18-12-5-1-10(2-6-12)9-14(26(23,24)25)15(22)11-3-7-13(8-4-11)19-21-17;/h1-9H,(H,23,24,25);/q;+1/p-1/b14-9+;