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

Systemtic Name: sodium (E)-1-(4-azidophenyl)-3-oxidanylidene-prop-1-ene-2-sulfonate Openeye Name: sodium (E)-1-(4-azidophenyl)-3-oxo-prop-1-ene-2-sulfonate CAS Name: sodium (E)-1-(4-azidophenyl)-3-oxo-1-propene-2-sulfonate IUPAC Name: sodium (E)-1-(4-azidophenyl)-3-oxoprop-1-ene-2-sulfonate Traditional Name: sodium (E)-1-(4-azidophenyl)-3-keto-prop-1-ene-2-sulfonate Formula: C9H6N3NaO4S MolecularWeight: 275.21641

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H7N3O4S.Na/c10-12-11-8-3-1-7(2-4-8)5-9(6-13)17(14,15)16;/h1-6H,(H,14,15,16);/q;+1/p-1/b9-5+;