1-benzamido-2,2,2-tris(chloranyl)ethanesulfonic acid; 4-methylaniline

Systemtic Name: 1-benzamido-2,2,2-tris(chloranyl)ethanesulfonic acid; 4-methylaniline Openeye Name: 1-benzamido-2,2,2-trichloro-ethanesulfonic acid; 4-methylaniline CAS Name: 1-benzamido-2,2,2-trichloroethanesulfonic acid; 4-methylaniline IUPAC Name: 1-benzamido-2,2,2-trichloroethanesulfonic acid; 4-methylaniline Traditional Name: 1-benzamido-2,2,2-trichloro-ethanesulfonic acid; p-toluidine Formula: C16H17Cl3N2O4S MolecularWeight: 439.74118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H8Cl3NO4S.C7H9N/c10-9(11,12)8(18(15,16)17)13-7(14)6-4-2-1-3-5-6;1-6-2-4-7(8)5-3-6/h1-5,8H,(H,13,14)(H,15,16,17);2-5H,8H2,1H3