1-(2,4-dichlorophenyl)-2-imidazol-1-yl-ethanone; 4-methylbenzenesulfonic acid

Systemtic Name: 1-(2,4-dichlorophenyl)-2-imidazol-1-yl-ethanone; 4-methylbenzenesulfonic acid Openeye Name: 1-(2,4-dichlorophenyl)-2-imidazol-1-yl-ethanone; 4-methylbenzenesulfonic acid CAS Name: 1-(2,4-dichlorophenyl)-2-(1-imidazolyl)ethanone; 4-methylbenzenesulfonic acid IUPAC Name: 1-(2,4-dichlorophenyl)-2-imidazol-1-ylethanone; 4-methylbenzenesulfonic acid Traditional Name: 1-(2,4-dichlorophenyl)-2-imidazol-1-yl-ethanone; tosylic acid Formula: C18H16Cl2N2O4S MolecularWeight: 427.30164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC(=C(C=C1Cl)Cl)C(=O)CN2C=CN=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC(=C(C=C1Cl)Cl)C(=O)CN2C=CN=C2

InChI

InChI=1S/C11H8Cl2N2O.C7H8O3S/c12-8-1-2-9(10(13)5-8)11(16)6-15-4-3-14-7-15;1-6-2-4-7(5-3-6)11(8,9)10/h1-5,7H,6H2;2-5H,1H3,(H,8,9,10)