4-ethenylbenzenesulfonate; icos-1-en-3-yl-dimethyl-(phenylmethyl)azanium

Systemtic Name: 4-ethenylbenzenesulfonate; icos-1-en-3-yl-dimethyl-(phenylmethyl)azanium Openeye Name: benzyl-dimethyl-(1-vinyloctadecyl)ammonium; 4-vinylbenzenesulfonate CAS Name: eicos-1-en-3-yl-dimethyl-(phenylmethyl)ammonium; 4-ethenylbenzenesulfonate IUPAC Name: benzyl-icos-1-en-3-yl-dimethylazanium; 4-ethenylbenzenesulfonate Traditional Name: benzyl-(1-heptadecylallyl)-dimethyl-ammonium; 4-vinylbesylate Formula: C37H59NO3S MolecularWeight: 597.93426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H52N.C8H8O3S/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-23-26-29(6-2)30(3,4)27-28-24-21-20-22-25-28;1-2-7-3-5-8(6-4-7)12(9,10)11/h6,20-22,24-25,29H,2,5,7-19,23,26-27H2,1,3-4H3;2-6H,1H2,(H,9,10,11)/q+1;/p-1