5-azido-2-[(1E,4E)-5-(4-azidophenyl)-3-oxidanylidene-penta-1,4-dienyl]benzenesulfonic acid

Systemtic Name: 5-azido-2-[(1E,4E)-5-(4-azidophenyl)-3-oxidanylidene-penta-1,4-dienyl]benzenesulfonic acid Openeye Name: 5-azido-2-[(1E,4E)-5-(4-azidophenyl)-3-oxo-penta-1,4-dienyl]benzenesulfonic acid CAS Name: 5-azido-2-[(1E,4E)-5-(4-azidophenyl)-3-oxopenta-1,4-dienyl]benzenesulfonic acid IUPAC Name: 5-azido-2-[(1E,4E)-5-(4-azidophenyl)-3-oxopenta-1,4-dienyl]benzenesulfonic acid Traditional Name: 5-azido-2-[(1E,4E)-5-(4-azidophenyl)-3-keto-penta-1,4-dienyl]besylic acid Formula: C17H12N6O4S MolecularWeight: 396.37998

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CC(=O)C=CC2=C(C=C(C=C2)N=[N+]=[N-])S(=O)(=O)O)N=[N+]=[N-]

Isomeric SMILES

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

InChI

InChI=1S/C17H12N6O4S/c18-22-20-14-6-1-12(2-7-14)3-9-16(24)10-5-13-4-8-15(21-23-19)11-17(13)28(25,26)27/h1-11H,(H,25,26,27)/b9-3+,10-5+