sodium (Z)-1-(3,4-diazidophenyl)-3-oxidanylidene-3-phenyl-prop-1-ene-2-sulfonate

Systemtic Name: sodium (Z)-1-(3,4-diazidophenyl)-3-oxidanylidene-3-phenyl-prop-1-ene-2-sulfonate Openeye Name: sodium (Z)-1-(3,4-diazidophenyl)-3-oxo-3-phenyl-prop-1-ene-2-sulfonate CAS Name: sodium (Z)-1-(3,4-diazidophenyl)-3-oxo-3-phenyl-1-propene-2-sulfonate IUPAC Name: sodium (Z)-1-(3,4-diazidophenyl)-3-oxo-3-phenylprop-1-ene-2-sulfonate Traditional Name: sodium (Z)-1-(3,4-diazidophenyl)-3-keto-3-phenyl-prop-1-ene-2-sulfonate Formula: C15H9N6NaO4S MolecularWeight: 392.32453

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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