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

Systemtic Name: 5-azido-2-[(1E,4E)-5-(4-azido-2-sulfo-phenyl)-3-oxidanylidene-penta-1,4-dienyl]benzenesulfonic acid Openeye Name: 5-azido-2-[(1E,4E)-5-(4-azido-2-sulfo-phenyl)-3-oxo-penta-1,4-dienyl]benzenesulfonic acid CAS Name: 5-azido-2-[(1E,4E)-5-(4-azido-2-sulfophenyl)-3-oxopenta-1,4-dienyl]benzenesulfonic acid IUPAC Name: 5-azido-2-[(1E,4E)-5-(4-azido-2-sulfophenyl)-3-oxopenta-1,4-dienyl]benzenesulfonic acid Traditional Name: 5-azido-2-[(1E,4E)-5-(4-azido-2-sulfo-phenyl)-3-keto-penta-1,4-dienyl]besylic acid Formula: C17H12N6O7S2 MolecularWeight: 476.44318

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N=[N+]=[N-])S(=O)(=O)O)C=CC(=O)C=CC2=C(C=C(C=C2)N=[N+]=[N-])S(=O)(=O)O

Isomeric SMILES

C1=CC(=C(C=C1N=[N+]=[N-])S(=O)(=O)O)/C=C/C(=O)/C=C/C2=C(C=C(C=C2)N=[N+]=[N-])S(=O)(=O)O

InChI

InChI=1S/C17H12N6O7S2/c18-22-20-13-5-1-11(16(9-13)31(25,26)27)3-7-15(24)8-4-12-2-6-14(21-23-19)10-17(12)32(28,29)30/h1-10H,(H,25,26,27)(H,28,29,30)/b7-3+,8-4+