sodium (Z)-3-(3-azidophenyl)-1-(4-azidophenyl)-3-oxidanylidene-prop-1-ene-2-sulfonate

Systemtic Name: sodium (Z)-3-(3-azidophenyl)-1-(4-azidophenyl)-3-oxidanylidene-prop-1-ene-2-sulfonate Openeye Name: sodium (Z)-3-(3-azidophenyl)-1-(4-azidophenyl)-3-oxo-prop-1-ene-2-sulfonate CAS Name: sodium (Z)-3-(3-azidophenyl)-1-(4-azidophenyl)-3-oxo-1-propene-2-sulfonate IUPAC Name: sodium (Z)-3-(3-azidophenyl)-1-(4-azidophenyl)-3-oxoprop-1-ene-2-sulfonate Traditional Name: sodium (Z)-3-(3-azidophenyl)-1-(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(=C1)N=[N+]=[N-])C(=O)C(=CC2=CC=C(C=C2)N=[N+]=[N-])S(=O)(=O)[O-].[Na+]

Isomeric SMILES

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

InChI

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