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dimethyl(dioctadecyl)azanium; 2-ethenylbenzenesulfonate

Systemtic Name:	dimethyl(dioctadecyl)azanium; 2-ethenylbenzenesulfonate
Openeye Name:	dimethyl(dioctadecyl)ammonium; 2-vinylbenzenesulfonate
CAS Name:	dimethyl(dioctadecyl)ammonium; 2-ethenylbenzenesulfonate
IUPAC Name:	dimethyl(dioctadecyl)azanium; 2-ethenylbenzenesulfonate
Traditional Name:	dimethyl(distearyl)ammonium; 2-vinylbesylate
Formula:	C₄₆H₈₇NO₃S
MolecularWeight:	734.25288

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCCCC.C=CC1=CC=CC=C1S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCCCC.C=CC1=CC=CC=C1S(=O)(=O)[O-]

InChI

InChI=1S/C38H80N.C8H8O3S/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39(3,4)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;1-2-7-5-3-4-6-8(7)12(9,10)11/h5-38H2,1-4H3;2-6H,1H2,(H,9,10,11)/q+1;/p-1

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