3-methylaniline; 4-methylbenzenesulfonic acid

Systemtic Name: 3-methylaniline; 4-methylbenzenesulfonic acid Openeye Name: 3-methylaniline; 4-methylbenzenesulfonic acid CAS Name: 3-methylaniline; 4-methylbenzenesulfonic acid IUPAC Name: 3-methylaniline; 4-methylbenzenesulfonic acid Traditional Name: m-toluidine; tosylic acid Formula: C14H17NO3S MolecularWeight: 279.35468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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