sodium 5-azido-2-[(E)-3-oxidanylideneprop-1-enyl]benzenesulfonate

Systemtic Name: sodium 5-azido-2-[(E)-3-oxidanylideneprop-1-enyl]benzenesulfonate Openeye Name: sodium 5-azido-2-[(E)-3-oxoprop-1-enyl]benzenesulfonate CAS Name: sodium 5-azido-2-[(E)-3-oxoprop-1-enyl]benzenesulfonate IUPAC Name: sodium 5-azido-2-[(E)-3-oxoprop-1-enyl]benzenesulfonate Traditional Name: sodium 5-azido-2-[(E)-3-ketoprop-1-enyl]besylate Formula: C9H6N3NaO4S MolecularWeight: 275.21641

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N=[N+]=[N-])S(=O)(=O)[O-])C=CC=O.[Na+]

Isomeric SMILES

C1=CC(=C(C=C1N=[N+]=[N-])S(=O)(=O)[O-])/C=C/C=O.[Na+]

InChI

InChI=1S/C9H7N3O4S.Na/c10-12-11-8-4-3-7(2-1-5-13)9(6-8)17(14,15)16;/h1-6H,(H,14,15,16);/q;+1/p-1/b2-1+;