2-[2-(6-sulfonato-1,3-benzothiazol-2-yl)hydrazinyl]-1,3-benzothiazole-6-sulfonate

Systemtic Name: 2-[2-(6-sulfonato-1,3-benzothiazol-2-yl)hydrazinyl]-1,3-benzothiazole-6-sulfonate Openeye Name: 2-[2-(6-sulfonato-1,3-benzothiazol-2-yl)hydrazino]-1,3-benzothiazole-6-sulfonate CAS Name: 2-[(6-sulfonato-1,3-benzothiazol-2-yl)hydrazo]-1,3-benzothiazole-6-sulfonate IUPAC Name: 2-[2-(6-sulfonato-1,3-benzothiazol-2-yl)hydrazinyl]-1,3-benzothiazole-6-sulfonate Traditional Name: 2-[N'-(6-sulfonato-1,3-benzothiazol-2-yl)hydrazino]-1,3-benzothiazole-6-sulfonate Formula: C14H8N4O6S4-2 MolecularWeight: 456.49652

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1S(=O)(=O)[O-])SC(=N2)NNC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)[O-]

Isomeric SMILES

C1=CC2=C(C=C1S(=O)(=O)[O-])SC(=N2)NNC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)[O-]

InChI

InChI=1S/C14H10N4O6S4/c19-27(20,21)7-1-3-9-11(5-7)25-13(15-9)17-18-14-16-10-4-2-8(28(22,23)24)6-12(10)26-14/h1-6H,(H,15,17)(H,16,18)(H,19,20,21)(H,22,23,24)/p-2