4-methylbenzenesulfonic acid; 3-phenyldiazenylpyridine-2,6-diamine; hydrochloride

Systemtic Name: 4-methylbenzenesulfonic acid; 3-phenyldiazenylpyridine-2,6-diamine; hydrochloride Openeye Name: 4-methylbenzenesulfonic acid; 3-phenylazopyridine-2,6-diamine; hydrochloride CAS Name: 4-methylbenzenesulfonic acid; 3-phenyldiazenylpyridine-2,6-diamine; hydrochloride IUPAC Name: 4-methylbenzenesulfonic acid; 3-phenyldiazenylpyridine-2,6-diamine; hydrochloride Traditional Name: (6-amino-3-phenylazo-2-pyridyl)amine; tosylic acid; hydrochloride Formula: C18H20ClN5O3S MolecularWeight: 421.9011

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)N=NC2=C(N=C(C=C2)N)N.Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)N=NC2=C(N=C(C=C2)N)N.Cl

InChI

InChI=1S/C11H11N5.C7H8O3S.ClH/c12-10-7-6-9(11(13)14-10)16-15-8-4-2-1-3-5-8;1-6-2-4-7(5-3-6)11(8,9)10;/h1-7H,(H4,12,13,14);2-5H,1H3,(H,8,9,10);1H