4-methylaniline; 4-methylbenzenesulfonic acid

Systemtic Name: 4-methylaniline; 4-methylbenzenesulfonic acid Openeye Name: 4-methylaniline; 4-methylbenzenesulfonic acid CAS Name: 4-methylaniline; 4-methylbenzenesulfonic acid IUPAC Name: 4-methylaniline; 4-methylbenzenesulfonic acid Traditional Name: p-toluidine; tosylic acid Formula: C21H25NO6S2 MolecularWeight: 451.5563

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H9N.2C7H8O3S/c1-6-2-4-7(8)5-3-6;2*1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,8H2,1H3;2*2-5H,1H3,(H,8,9,10)