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

Systemtic Name: sodium 6-azanylidene-5-[2-[4-chloranyl-2-(trifluoromethyl)phenyl]hydrazinyl]-4-oxidanylidene-naphthalene-2-sulfonate Openeye Name: sodium 5-[2-[4-chloro-2-(trifluoromethyl)phenyl]hydrazino]-6-imino-4-oxo-naphthalene-2-sulfonate CAS Name: sodium 5-[[4-chloro-2-(trifluoromethyl)phenyl]hydrazo]-6-imino-4-oxo-2-naphthalenesulfonate IUPAC Name: sodium 5-[2-[4-chloro-2-(trifluoromethyl)phenyl]hydrazinyl]-6-imino-4-oxonaphthalene-2-sulfonate Traditional Name: sodium 5-[N'-[4-chloro-2-(trifluoromethyl)phenyl]hydrazino]-6-imino-4-keto-naphthalene-2-sulfonate Formula: C17H10ClF3N3NaO4S MolecularWeight: 467.78198

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=N)C(=C2C1=CC(=CC2=O)S(=O)(=O)[O-])NNC3=C(C=C(C=C3)Cl)C(F)(F)F.[Na+]

Isomeric SMILES

C1=CC(=N)C(=C2C1=CC(=CC2=O)S(=O)(=O)[O-])NNC3=C(C=C(C=C3)Cl)C(F)(F)F.[Na+]

InChI

InChI=1S/C17H11ClF3N3O4S.Na/c18-9-2-4-13(11(6-9)17(19,20)21)23-24-16-12(22)3-1-8-5-10(29(26,27)28)7-14(25)15(8)16;/h1-7,22-24H,(H,26,27,28);/q;+1/p-1