4-methylbenzenesulfonate; 2-(2-nitrophenyl)ethanamine

Systemtic Name: 4-methylbenzenesulfonate; 2-(2-nitrophenyl)ethanamine Openeye Name: 4-methylbenzenesulfonate; 2-(2-nitrophenyl)ethanamine CAS Name: 4-methylbenzenesulfonate; 2-(2-nitrophenyl)ethanamine IUPAC Name: 4-methylbenzenesulfonate; 2-(2-nitrophenyl)ethanamine Traditional Name: 2-(2-nitrophenyl)ethylamine tosylate Formula: C15H17N2O5S- MolecularWeight: 337.37088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H10N2O2.C7H8O3S/c9-6-5-7-3-1-2-4-8(7)10(11)12;1-6-2-4-7(5-3-6)11(8,9)10/h1-4H,5-6,9H2;2-5H,1H3,(H,8,9,10)/p-1