1-[bis(chloranyl)methyl]cyclohexane-1-sulfonic acid; 4-methylaniline

Systemtic Name: 1-[bis(chloranyl)methyl]cyclohexane-1-sulfonic acid; 4-methylaniline Openeye Name: 1-(dichloromethyl)cyclohexanesulfonic acid; 4-methylaniline CAS Name: 1-(dichloromethyl)-1-cyclohexanesulfonic acid; 4-methylaniline IUPAC Name: 1-(dichloromethyl)cyclohexane-1-sulfonic acid; 4-methylaniline Traditional Name: 1-(dichloromethyl)cyclohexanesulfonic acid; p-toluidine Formula: C14H21Cl2NO3S MolecularWeight: 354.29244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N.C1CCC(CC1)(C(Cl)Cl)S(=O)(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)N.C1CCC(CC1)(C(Cl)Cl)S(=O)(=O)O

InChI

InChI=1S/C7H12Cl2O3S.C7H9N/c8-6(9)7(13(10,11)12)4-2-1-3-5-7;1-6-2-4-7(8)5-3-6/h6H,1-5H2,(H,10,11,12);2-5H,8H2,1H3