2-prop-1-en-2-ylbenzenesulfonate; tetrabutylazanium

Systemtic Name: 2-prop-1-en-2-ylbenzenesulfonate; tetrabutylazanium Openeye Name: 2-isopropenylbenzenesulfonate; tetrabutylammonium CAS Name: 2-(1-methylethenyl)benzenesulfonate; tetrabutylammonium IUPAC Name: 2-prop-1-en-2-ylbenzenesulfonate; tetrabutylazanium Traditional Name: 2-isopropenylbesylate; tetrabutylammonium Formula: C25H45NO3S MolecularWeight: 439.6947

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+](CCCC)(CCCC)CCCC.CC(=C)C1=CC=CC=C1S(=O)(=O)[O-]

Isomeric SMILES

CCCC[N+](CCCC)(CCCC)CCCC.CC(=C)C1=CC=CC=C1S(=O)(=O)[O-]

InChI

InChI=1S/C16H36N.C9H10O3S/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-7(2)8-5-3-4-6-9(8)13(10,11)12/h5-16H2,1-4H3;3-6H,1H2,2H3,(H,10,11,12)/q+1;/p-1