sodium 6-azanyl-5-[[2-(trifluoromethyl)phenyl]diazenyl]naphthalene-2-sulfonate

Systemtic Name: sodium 6-azanyl-5-[[2-(trifluoromethyl)phenyl]diazenyl]naphthalene-2-sulfonate Openeye Name: sodium 6-amino-5-[2-(trifluoromethyl)phenyl]azo-naphthalene-2-sulfonate CAS Name: sodium 6-amino-5-[2-(trifluoromethyl)phenyl]azo-2-naphthalenesulfonate IUPAC Name: sodium 6-amino-5-[[2-(trifluoromethyl)phenyl]diazenyl]naphthalene-2-sulfonate Traditional Name: sodium 6-amino-5-[2-(trifluoromethyl)phenyl]azo-naphthalene-2-sulfonate Formula: C17H11F3N3NaO3S MolecularWeight: 417.33752

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(F)(F)F)N=NC2=C(C=CC3=C2C=CC(=C3)S(=O)(=O)[O-])N.[Na+]

Isomeric SMILES

C1=CC=C(C(=C1)C(F)(F)F)N=NC2=C(C=CC3=C2C=CC(=C3)S(=O)(=O)[O-])N.[Na+]

InChI

InChI=1S/C17H12F3N3O3S.Na/c18-17(19,20)13-3-1-2-4-15(13)22-23-16-12-7-6-11(27(24,25)26)9-10(12)5-8-14(16)21;/h1-9H,21H2,(H,24,25,26);/q;+1/p-1