4-methylbenzenesulfonate; 1,3,5-trimethyl-2-[4-(2,3,5-trimethylpyrazol-2-ium-1-yl)butyl]pyrazol-1-ium

Systemtic Name: 4-methylbenzenesulfonate; 1,3,5-trimethyl-2-[4-(2,3,5-trimethylpyrazol-2-ium-1-yl)butyl]pyrazol-1-ium Openeye Name: 4-methylbenzenesulfonate; 1,3,5-trimethyl-2-[4-(2,3,5-trimethylpyrazol-2-ium-1-yl)butyl]pyrazol-1-ium CAS Name: 4-methylbenzenesulfonate; 1,3,5-trimethyl-2-[4-(2,3,5-trimethyl-1-pyrazol-2-iumyl)butyl]pyrazol-1-ium IUPAC Name: 4-methylbenzenesulfonate; 1,3,5-trimethyl-2-[4-(2,3,5-trimethylpyrazol-2-ium-1-yl)butyl]pyrazol-1-ium Traditional Name: 1,3,5-trimethyl-2-[4-(2,3,5-trimethylpyrazol-2-ium-1-yl)butyl]pyrazol-1-ium ditosylate Formula: C30H42N4O6S2 MolecularWeight: 618.80768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC(=[N+](N1CCCCN2C(=CC(=[N+]2C)C)C)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC(=[N+](N1CCCCN2C(=CC(=[N+]2C)C)C)C)C

InChI

InChI=1S/C16H28N4.2C7H8O3S/c1-13-11-15(3)19(17(13)5)9-7-8-10-20-16(4)12-14(2)18(20)6;2*1-6-2-4-7(5-3-6)11(8,9)10/h11-12H,7-10H2,1-6H3;2*2-5H,1H3,(H,8,9,10)/q+2;;/p-2