disodium 1,3-benzothiazole-2,5-disulfonate

Systemtic Name: disodium 1,3-benzothiazole-2,5-disulfonate Openeye Name: disodium 1,3-benzothiazole-2,5-disulfonate CAS Name: disodium 1,3-benzothiazole-2,5-disulfonate IUPAC Name: disodium 1,3-benzothiazole-2,5-disulfonate Traditional Name: disodium 1,3-benzothiazole-2,5-disulfonate Formula: C7H3NNa2O6S3 MolecularWeight: 339.27636

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1S(=O)(=O)[O-])N=C(S2)S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC2=C(C=C1S(=O)(=O)[O-])N=C(S2)S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C7H5NO6S3.2Na/c9-16(10,11)4-1-2-6-5(3-4)8-7(15-6)17(12,13)14;;/h1-3H,(H,9,10,11)(H,12,13,14);;/q;2*+1/p-2