2,4-dinitronaphthalen-1-amine; 4-methylbenzenesulfonic acid

Systemtic Name: 2,4-dinitronaphthalen-1-amine; 4-methylbenzenesulfonic acid Openeye Name: 2,4-dinitronaphthalen-1-amine; 4-methylbenzenesulfonic acid CAS Name: 2,4-dinitro-1-naphthalenamine; 4-methylbenzenesulfonic acid IUPAC Name: 2,4-dinitronaphthalen-1-amine; 4-methylbenzenesulfonic acid Traditional Name: (2,4-dinitro-1-naphthyl)amine; tosylic acid Formula: C17H15N3O7S MolecularWeight: 405.3819

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C2C(=C1)C(=CC(=C2N)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C2C(=C1)C(=CC(=C2N)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C10H7N3O4.C7H8O3S/c11-10-7-4-2-1-3-6(7)8(12(14)15)5-9(10)13(16)17;1-6-2-4-7(5-3-6)11(8,9)10/h1-5H,11H2;2-5H,1H3,(H,8,9,10)