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

Systemtic Name: 2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)iminomethyl]-4,6-dinitro-phenolate Openeye Name: 2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)iminomethyl]-4,6-dinitro-phenolate CAS Name: 2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)iminomethyl]-4,6-dinitrophenolate IUPAC Name: 2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)iminomethyl]-4,6-dinitrophenolate Traditional Name: 2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)iminomethyl]-4,6-dinitro-phenolate Formula: C16H11N4O5S- MolecularWeight: 371.34734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)N=CC3=CC(=CC(=C3[O-])[N+](=O)[O-])[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)N=CC3=CC(=CC(=C3[O-])[N+](=O)[O-])[N+](=O)[O-])C

InChI

InChI=1S/C16H12N4O5S/c1-8-3-9(2)14-13(4-8)26-16(18-14)17-7-10-5-11(19(22)23)6-12(15(10)21)20(24)25/h3-7,21H,1-2H3/p-1