benzene-1,2-diamine; 4-methylbenzenesulfonic acid

Systemtic Name: benzene-1,2-diamine; 4-methylbenzenesulfonic acid Openeye Name: benzene-1,2-diamine; 4-methylbenzenesulfonic acid CAS Name: benzene-1,2-diamine; 4-methylbenzenesulfonic acid IUPAC Name: benzene-1,2-diamine; 4-methylbenzenesulfonic acid Traditional Name: o-phenylenediamine; tosylic acid Formula: C20H24N2O6S2 MolecularWeight: 452.54436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C(=C1)N)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C(=C1)N)N

InChI

InChI=1S/2C7H8O3S.C6H8N2/c2*1-6-2-4-7(5-3-6)11(8,9)10;7-5-3-1-2-4-6(5)8/h2*2-5H,1H3,(H,8,9,10);1-4H,7-8H2