trisodium (7Z)-7-[(4-acetamidophenyl)hydrazinylidene]-8-oxidanylidene-naphthalene-1,3,6-trisulfonate

Systemtic Name: trisodium (7Z)-7-[(4-acetamidophenyl)hydrazinylidene]-8-oxidanylidene-naphthalene-1,3,6-trisulfonate Openeye Name: trisodium (7Z)-7-[(4-acetamidophenyl)hydrazono]-8-oxo-naphthalene-1,3,6-trisulfonate CAS Name: trisodium (7Z)-7-[(4-acetamidophenyl)hydrazinylidene]-8-oxonaphthalene-1,3,6-trisulfonate IUPAC Name: trisodium (7Z)-7-[(4-acetamidophenyl)hydrazinylidene]-8-oxonaphthalene-1,3,6-trisulfonate Traditional Name: trisodium (7Z)-7-[(4-acetamidophenyl)hydrazono]-8-keto-naphthalene-1,3,6-trisulfonate Formula: C18H12N3Na3O11S3 MolecularWeight: 611.46569

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NN=C2C(=CC3=CC(=CC(=C3C2=O)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)N/N=C/2\C(=CC3=CC(=CC(=C3C2=O)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C18H15N3O11S3.3Na/c1-9(22)19-11-2-4-12(5-3-11)20-21-17-15(35(30,31)32)7-10-6-13(33(24,25)26)8-14(34(27,28)29)16(10)18(17)23;;;/h2-8,20H,1H3,(H,19,22)(H,24,25,26)(H,27,28,29)(H,30,31,32);;;/q;3*+1/p-3/b21-17+;;;