4-methylbenzenesulfonic acid; N-(4-nitrophenyl)pyridin-4-amine

Systemtic Name: 4-methylbenzenesulfonic acid; N-(4-nitrophenyl)pyridin-4-amine Openeye Name: 4-methylbenzenesulfonic acid; N-(4-nitrophenyl)pyridin-4-amine CAS Name: 4-methylbenzenesulfonic acid; N-(4-nitrophenyl)-4-pyridinamine IUPAC Name: 4-methylbenzenesulfonic acid; N-(4-nitrophenyl)pyridin-4-amine Traditional Name: (4-nitrophenyl)-(4-pyridyl)amine; tosylic acid Formula: C18H17N3O5S MolecularWeight: 387.40968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC(=CC=C1NC2=CC=NC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC(=CC=C1NC2=CC=NC=C2)[N+](=O)[O-]

InChI

InChI=1S/C11H9N3O2.C7H8O3S/c15-14(16)11-3-1-9(2-4-11)13-10-5-7-12-8-6-10;1-6-2-4-7(5-3-6)11(8,9)10/h1-8H,(H,12,13);2-5H,1H3,(H,8,9,10)