disodium (3E)-3-[(2-methylsulfonyl-1,3-benzothiazol-1-yl)hydrazinylidene]-4-oxidanylidene-naphthalene-2,7-disulfonate

Systemtic Name: disodium (3E)-3-[(2-methylsulfonyl-1,3-benzothiazol-1-yl)hydrazinylidene]-4-oxidanylidene-naphthalene-2,7-disulfonate Openeye Name: disodium (3E)-3-[(2-methylsulfonyl-1,3-benzothiazol-1-yl)hydrazono]-4-oxo-naphthalene-2,7-disulfonate CAS Name: disodium (3E)-3-[(2-methylsulfonyl-1,3-benzothiazol-1-yl)hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate IUPAC Name: disodium (3E)-3-[(2-methylsulfonyl-1,3-benzothiazol-1-yl)hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate Traditional Name: disodium (3E)-4-keto-3-[(2-mesyl-1,3-benzothiazol-1-yl)hydrazono]naphthalene-2,7-disulfonate Formula: C18H12N3Na2O9S4 MolecularWeight: 588.54212

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=NC2=CC=CC=C2[S]1NN=C3C(=CC4=C(C3=O)C=CC(=C4)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CS(=O)(=O)C1=NC2=CC=CC=C2[S]1N/N=C\3/C(=CC4=C(C3=O)C=CC(=C4)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C18H14N3O9S4.2Na/c1-32(23,24)18-19-13-4-2-3-5-14(13)31(18)21-20-16-15(34(28,29)30)9-10-8-11(33(25,26)27)6-7-12(10)17(16)22;;/h2-9,21H,1H3,(H,25,26,27)(H,28,29,30);;/q;2*+1/p-2/b20-16-;;