hexyl-bis[(4-methylphenyl)sulfonylmethyl]azanium

Systemtic Name: hexyl-bis[(4-methylphenyl)sulfonylmethyl]azanium Openeye Name: hexyl-bis(p-tolylsulfonylmethyl)ammonium CAS Name: hexyl-bis[(4-methylphenyl)sulfonylmethyl]ammonium IUPAC Name: hexyl-bis[(4-methylphenyl)sulfonylmethyl]azanium Traditional Name: hexyl-bis(tosylmethyl)ammonium Formula: C22H32NO4S2+ MolecularWeight: 438.62378

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[NH+](CS(=O)(=O)C1=CC=C(C=C1)C)CS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCCC[NH+](CS(=O)(=O)C1=CC=C(C=C1)C)CS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C22H31NO4S2/c1-4-5-6-7-16-23(17-28(24,25)21-12-8-19(2)9-13-21)18-29(26,27)22-14-10-20(3)11-15-22/h8-15H,4-7,16-18H2,1-3H3/p+1