3-azanyl-2,1-benzothiazole-5,7-disulfonic acid

Systemtic Name: 3-azanyl-2,1-benzothiazole-5,7-disulfonic acid Openeye Name: 3-amino-2,1-benzothiazole-5,7-disulfonic acid CAS Name: 3-amino-2,1-benzothiazole-5,7-disulfonic acid IUPAC Name: 3-amino-2,1-benzothiazole-5,7-disulfonic acid Traditional Name: 3-amino-2,1-benzothiazole-5,7-disulfonic acid Formula: C7H6N2O6S3 MolecularWeight: 310.32734

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C2=NSC(=C21)N)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=C(C=C(C2=NSC(=C21)N)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C7H6N2O6S3/c8-7-4-1-3(17(10,11)12)2-5(18(13,14)15)6(4)9-16-7/h1-2H,8H2,(H,10,11,12)(H,13,14,15)