disodium (3E)-5-azanyl-3-[(2-methyl-1,3-benzothiazol-6-yl)hydrazinylidene]-4-oxidanylidene-naphthalene-2,7-disulfonate

Systemtic Name: disodium (3E)-5-azanyl-3-[(2-methyl-1,3-benzothiazol-6-yl)hydrazinylidene]-4-oxidanylidene-naphthalene-2,7-disulfonate Openeye Name: disodium (3E)-5-amino-3-[(2-methyl-1,3-benzothiazol-6-yl)hydrazono]-4-oxo-naphthalene-2,7-disulfonate CAS Name: disodium (3E)-5-amino-3-[(2-methyl-1,3-benzothiazol-6-yl)hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate IUPAC Name: disodium (3E)-5-amino-3-[(2-methyl-1,3-benzothiazol-6-yl)hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate Traditional Name: disodium (3E)-5-amino-4-keto-3-[(2-methyl-1,3-benzothiazol-6-yl)hydrazono]naphthalene-2,7-disulfonate Formula: C18H12N4Na2O7S3 MolecularWeight: 538.48502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=C(C=C2)NN=C3C(=CC4=CC(=CC(=C4C3=O)N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CC1=NC2=C(S1)C=C(C=C2)N/N=C\3/C(=CC4=CC(=CC(=C4C3=O)N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C18H14N4O7S3.2Na/c1-8-20-13-3-2-10(6-14(13)30-8)21-22-17-15(32(27,28)29)5-9-4-11(31(24,25)26)7-12(19)16(9)18(17)23;;/h2-7,21H,19H2,1H3,(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2/b22-17-;;