4-methylbenzenesulfonic acid; 3-(trifluoromethyl)benzenecarboximidamide

Systemtic Name: 4-methylbenzenesulfonic acid; 3-(trifluoromethyl)benzenecarboximidamide Openeye Name: 4-methylbenzenesulfonic acid; 3-(trifluoromethyl)benzamidine CAS Name: 4-methylbenzenesulfonic acid; 3-(trifluoromethyl)benzenecarboximidamide IUPAC Name: 4-methylbenzenesulfonic acid; 3-(trifluoromethyl)benzenecarboximidamide Traditional Name: tosylic acid; 3-(trifluoromethyl)benzamidine Formula: C15H15F3N2O3S MolecularWeight: 360.35141

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H7F3N2.C7H8O3S/c9-8(10,11)6-3-1-2-5(4-6)7(12)13;1-6-2-4-7(5-3-6)11(8,9)10/h1-4H,(H3,12,13);2-5H,1H3,(H,8,9,10)