benzethonium octyloxyacetate (Q27251590)

UNII-147062OTCD (English)

14 October 2016

chemical formula

C₃₇H₆₁NO₅

1 reference

UNII-147062OTCD (English)

14 October 2016

canonical SMILES

CCCCCCCCOCC(=O)[O-].CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCOCC[N+](C)(C)CC2=CC=CC=C2

1 reference

UNII-147062OTCD (English)

InChI=1S/C27H42NO2.C10H20O3/c1-26(2,3)22-27(4,5)24-13-15-25(16-14-24)30-20-19-29-18-17-28(6,7)21-23-11-9-8-10-12-23;1-2-3-4-5-6-7-8-13-9-10(11)12/h8-16H,17-22H2,1-7H3;2-9H2,1H3,(H,11,12)/q+1;/p-1

14 October 2016

Identifiers

InChI

1 reference

UNII-147062OTCD (English)

DLTUMMFURAWYDZ-UHFFFAOYSA-M

14 October 2016

InChIKey

1 reference

Global Substance Registration System

UNII-147062OTCD (English)

14 October 2016

1 reference

UNII

147062OTCD

benzethonium octyloxyacetate (English)

14 October 2016

1 reference

N-Benzyl-N,N-dimethyl-2-{2-[4-(2,4,4-trimethyl-2-pentanyl)phenoxy]ethoxy}ethanaminium (octyloxy)acetate (English)

14 October 2016

1 reference

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

UNII-147062OTCD (English)

14 October 2016

1 reference

1 reference

DSSTOX compound identifier

0 references

1 reference

Global Substance Registration System

UNII

147062OTCD

benzethonium octyloxyacetate (English)