1,1-bis(chloranyl)-2-methyl-propane-2-sulfonic acid; 4-methylaniline

Systemtic Name: 1,1-bis(chloranyl)-2-methyl-propane-2-sulfonic acid; 4-methylaniline Openeye Name: 1,1-dichloro-2-methyl-propane-2-sulfonic acid; 4-methylaniline CAS Name: 1,1-dichloro-2-methyl-2-propanesulfonic acid; 4-methylaniline IUPAC Name: 1,1-dichloro-2-methylpropane-2-sulfonic acid; 4-methylaniline Traditional Name: 1,1-dichloro-2-methyl-propane-2-sulfonic acid; p-toluidine Formula: C11H17Cl2NO3S MolecularWeight: 314.22858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H9N.C4H8Cl2O3S/c1-6-2-4-7(8)5-3-6;1-4(2,3(5)6)10(7,8)9/h2-5H,8H2,1H3;3H,1-2H3,(H,7,8,9)