disodium (3Z)-3-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]hydrazinylidene]-4-oxidanylidene-naphthalene-2,6-disulfonate

Systemtic Name: disodium (3Z)-3-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]hydrazinylidene]-4-oxidanylidene-naphthalene-2,6-disulfonate Openeye Name: disodium (3Z)-3-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]hydrazono]-4-oxo-naphthalene-2,6-disulfonate CAS Name: disodium (3Z)-3-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]hydrazinylidene]-4-oxonaphthalene-2,6-disulfonate IUPAC Name: disodium (3Z)-3-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]hydrazinylidene]-4-oxonaphthalene-2,6-disulfonate Traditional Name: disodium (3Z)-4-keto-3-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]hydrazono]naphthalene-2,6-disulfonate Formula: C24H15N3Na2O7S3 MolecularWeight: 599.56634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NN=C4C(=CC5=C(C4=O)C=C(C=C5)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)N/N=C/4\C(=CC5=C(C4=O)C=C(C=C5)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C24H17N3O7S3.2Na/c1-13-2-9-19-20(10-13)35-24(25-19)14-3-6-16(7-4-14)26-27-22-21(37(32,33)34)11-15-5-8-17(36(29,30)31)12-18(15)23(22)28;;/h2-12,26H,1H3,(H,29,30,31)(H,32,33,34);;/q;2*+1/p-2/b27-22+;;