sodium 5-[2-[4-acetamido-2-(trifluoromethyl)phenyl]hydrazinyl]-6-azanylidene-4-oxidanylidene-naphthalene-2-sulfonate

Systemtic Name: sodium 5-[2-[4-acetamido-2-(trifluoromethyl)phenyl]hydrazinyl]-6-azanylidene-4-oxidanylidene-naphthalene-2-sulfonate Openeye Name: sodium 5-[2-[4-acetamido-2-(trifluoromethyl)phenyl]hydrazino]-6-imino-4-oxo-naphthalene-2-sulfonate CAS Name: sodium 5-[[4-acetamido-2-(trifluoromethyl)phenyl]hydrazo]-6-imino-4-oxo-2-naphthalenesulfonate IUPAC Name: sodium 5-[2-[4-acetamido-2-(trifluoromethyl)phenyl]hydrazinyl]-6-imino-4-oxonaphthalene-2-sulfonate Traditional Name: sodium 5-[N'-[4-acetamido-2-(trifluoromethyl)phenyl]hydrazino]-6-imino-4-keto-naphthalene-2-sulfonate Formula: C19H14F3N4NaO5S MolecularWeight: 490.38824

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)NNC2=C3C(=CC(=CC3=O)S(=O)(=O)[O-])C=CC2=N)C(F)(F)F.[Na+]

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)NNC2=C3C(=CC(=CC3=O)S(=O)(=O)[O-])C=CC2=N)C(F)(F)F.[Na+]

InChI

InChI=1S/C19H15F3N4O5S.Na/c1-9(27)24-11-3-5-15(13(7-11)19(20,21)22)25-26-18-14(23)4-2-10-6-12(32(29,30)31)8-16(28)17(10)18;/h2-8,23,25-26H,1H3,(H,24,27)(H,29,30,31);/q;+1/p-1