5-[(4,5-diisocyano-4H-imidazol-2-yl)iminomethylideneamino]-6-oxidanyl-naphthalene-2-sulfonic acid

Systemtic Name: 5-[(4,5-diisocyano-4H-imidazol-2-yl)iminomethylideneamino]-6-oxidanyl-naphthalene-2-sulfonic acid Openeye Name: 5-[(4,5-diisocyano-4H-imidazol-2-yl)iminomethyleneamino]-6-hydroxy-naphthalene-2-sulfonic acid CAS Name: 5-[(4,5-diisocyano-4H-imidazol-2-yl)iminomethylideneamino]-6-hydroxy-2-naphthalenesulfonic acid IUPAC Name: 5-[(4,5-diisocyano-4H-imidazol-2-yl)iminomethylideneamino]-6-hydroxynaphthalene-2-sulfonic acid Traditional Name: 5-[(4,5-diisocyano-4H-imidazol-2-yl)iminomethyleneamino]-6-hydroxy-naphthalene-2-sulfonic acid Formula: C16H8N6O4S MolecularWeight: 380.33752

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#[N+]C1C(=NC(=N1)N=C=NC2=C(C=CC3=C2C=CC(=C3)S(=O)(=O)O)O)[N+]#[C-]

Isomeric SMILES

[C-]#[N+]C1C(=NC(=N1)N=C=NC2=C(C=CC3=C2C=CC(=C3)S(=O)(=O)O)O)[N+]#[C-]

InChI

InChI=1S/C16H8N6O4S/c1-17-14-15(18-2)22-16(21-14)20-8-19-13-11-5-4-10(27(24,25)26)7-9(11)3-6-12(13)23/h3-7,14,23H,(H,24,25,26)