benzene-1,4-diamine; 4-methylbenzenesulfonate

Systemtic Name: benzene-1,4-diamine; 4-methylbenzenesulfonate Openeye Name: benzene-1,4-diamine; 4-methylbenzenesulfonate CAS Name: benzene-1,4-diamine; 4-methylbenzenesulfonate IUPAC Name: benzene-1,4-diamine; 4-methylbenzenesulfonate Traditional Name: p-phenylenediamine tosylate Formula: C13H15N2O3S- MolecularWeight: 279.3348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC(=CC=C1N)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC(=CC=C1N)N

InChI

InChI=1S/C7H8O3S.C6H8N2/c1-6-2-4-7(5-3-6)11(8,9)10;7-5-1-2-6(8)4-3-5/h2-5H,1H3,(H,8,9,10);1-4H,7-8H2/p-1