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

Systemtic Name: disodium (4E)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)hydrazinylidene]-3-oxidanylidene-naphthalene-2,7-disulfonate Openeye Name: disodium (4E)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)hydrazono]-3-oxo-naphthalene-2,7-disulfonate CAS Name: disodium (4E)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)hydrazinylidene]-3-oxonaphthalene-2,7-disulfonate IUPAC Name: disodium (4E)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)hydrazinylidene]-3-oxonaphthalene-2,7-disulfonate Traditional Name: disodium (4E)-3-keto-4-[(5-methyl-1,3,4-thiadiazol-2-yl)hydrazono]naphthalene-2,7-disulfonate Formula: C13H8N4Na2O7S3 MolecularWeight: 474.39976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(S1)NN=C2C3=C(C=C(C=C3)S(=O)(=O)[O-])C=C(C2=O)S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CC1=NN=C(S1)N/N=C/2\C3=C(C=C(C=C3)S(=O)(=O)[O-])C=C(C2=O)S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C13H10N4O7S3.2Na/c1-6-14-16-13(25-6)17-15-11-9-3-2-8(26(19,20)21)4-7(9)5-10(12(11)18)27(22,23)24;;/h2-5H,1H3,(H,16,17)(H,19,20,21)(H,22,23,24);;/q;2*+1/p-2/b15-11+;;