2-[(6-methoxy-1,3-benzothiazol-2-yl)iminomethyl]-4,6-dinitro-phenolate

Systemtic Name: 2-[(6-methoxy-1,3-benzothiazol-2-yl)iminomethyl]-4,6-dinitro-phenolate Openeye Name: 2-[(6-methoxy-1,3-benzothiazol-2-yl)iminomethyl]-4,6-dinitro-phenolate CAS Name: 2-[(6-methoxy-1,3-benzothiazol-2-yl)iminomethyl]-4,6-dinitrophenolate IUPAC Name: 2-[(6-methoxy-1,3-benzothiazol-2-yl)iminomethyl]-4,6-dinitrophenolate Traditional Name: 2-[(6-methoxy-1,3-benzothiazol-2-yl)iminomethyl]-4,6-dinitro-phenolate Formula: C15H9N4O6S- MolecularWeight: 373.32016

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)N=CC3=CC(=CC(=C3[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)N=CC3=CC(=CC(=C3[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H10N4O6S/c1-25-10-2-3-11-13(6-10)26-15(17-11)16-7-8-4-9(18(21)22)5-12(14(8)20)19(23)24/h2-7,20H,1H3/p-1