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dodecyl-dimethyl-(phenylmethyl)azanium sulfate

dodecyl-dimethyl-(phenylmethyl)azanium sulfate

Systemtic Name:dodecyl-dimethyl-(phenylmethyl)azanium sulfate
Openeye Name:benzyl-dodecyl-dimethyl-ammonium sulfate
CAS Name:dodecyl-dimethyl-(phenylmethyl)ammonium sulfate
IUPAC Name:benzyl-dodecyl-dimethylazanium sulfate
Traditional Name:benzyl-lauryl-dimethyl-ammonium sulfate
Formula: C42H76N2O4S
MolecularWeight: 705.12884
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/2C21H38N.H2O4S/c2*1-4-5-6-7-8-9-10-11-12-16-19-22(2,3)20-21-17-14-13-15-18-21;1-5(2,3)4/h2*13-15,17-18H,4-12,16,19-20H2,1-3H3;(H2,1,2,3,4)/q2*+1;/p-2


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