bis[(5-nitro-1,3-benzothiazol-2-yl)amino]methylidene-(5-nitro-1,3-benzothiazol-2-yl)azanium

Systemtic Name: bis[(5-nitro-1,3-benzothiazol-2-yl)amino]methylidene-(5-nitro-1,3-benzothiazol-2-yl)azanium Openeye Name: bis[(5-nitro-1,3-benzothiazol-2-yl)amino]methylene-(5-nitro-1,3-benzothiazol-2-yl)ammonium CAS Name: bis[(5-nitro-1,3-benzothiazol-2-yl)amino]methylidene-(5-nitro-1,3-benzothiazol-2-yl)ammonium IUPAC Name: bis[(5-nitro-1,3-benzothiazol-2-yl)amino]methylidene-(5-nitro-1,3-benzothiazol-2-yl)azanium Traditional Name: bis[(5-nitro-1,3-benzothiazol-2-yl)amino]methylene-(5-nitro-1,3-benzothiazol-2-yl)ammonium Formula: C22H12N9O6S3+ MolecularWeight: 594.58238

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])N=C(S2)NC(=[NH+]C3=NC4=C(S3)C=CC(=C4)[N+](=O)[O-])NC5=NC6=C(S5)C=CC(=C6)[N+](=O)[O-]

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])N=C(S2)NC(=[NH+]C3=NC4=C(S3)C=CC(=C4)[N+](=O)[O-])NC5=NC6=C(S5)C=CC(=C6)[N+](=O)[O-]

InChI

InChI=1S/C22H11N9O6S3/c32-29(33)10-1-4-16-13(7-10)23-20(38-16)26-19(27-21-24-14-8-11(30(34)35)2-5-17(14)39-21)28-22-25-15-9-12(31(36)37)3-6-18(15)40-22/h1-9H,(H2,23,24,25,26,27,28)/p+1