disodium (2Z)-2-[(4-carboxylatophenyl)sulfonylhydrazinylidene]-3-methyl-1,3-benzothiazole-6-carboxylate

Systemtic Name: disodium (2Z)-2-[(4-carboxylatophenyl)sulfonylhydrazinylidene]-3-methyl-1,3-benzothiazole-6-carboxylate Openeye Name: disodium (2Z)-2-[(4-carboxylatophenyl)sulfonylhydrazono]-3-methyl-1,3-benzothiazole-6-carboxylate CAS Name: disodium (2Z)-2-[(4-carboxylatophenyl)sulfonylhydrazinylidene]-3-methyl-1,3-benzothiazole-6-carboxylate IUPAC Name: disodium (2Z)-2-[(4-carboxylatophenyl)sulfonylhydrazinylidene]-3-methyl-1,3-benzothiazole-6-carboxylate Traditional Name: disodium (2Z)-2-[(4-carboxylatophenyl)sulfonylhydrazono]-3-methyl-1,3-benzothiazole-6-carboxylate Formula: C16H11N3Na2O6S2 MolecularWeight: 451.38458

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(=O)[O-])SC1=NNS(=O)(=O)C3=CC=C(C=C3)C(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CN\1C2=C(C=C(C=C2)C(=O)[O-])S/C1=N\NS(=O)(=O)C3=CC=C(C=C3)C(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C16H13N3O6S2.2Na/c1-19-12-7-4-10(15(22)23)8-13(12)26-16(19)17-18-27(24,25)11-5-2-9(3-6-11)14(20)21;;/h2-8,18H,1H3,(H,20,21)(H,22,23);;/q;2*+1/p-2/b17-16-;;