Sulfuric acid, monomethyl ester, compd. with 2-[methyl[2-[[(9Z)-1-oxo-9-octadecenyl]amino]ethyl]amino]ethyl 9-octadecenoate (1:1)

82799-39-1

CAS Name

9-Octadecenoic acid (9Z)-, 2-[methyl[2-[[(9Z)-1-oxo-9-octadecenyl]amino]ethyl]amino]ethyl ester, mono(methyl sulfate)

Molecular Formula

C₄₁H₇₈N₂O₃.CH₄O₄S

Molecular Mass

759.18

Other Names and Identifiers

InChI

InChI=1S/C41H78N2O3.CH4O4S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-40(44)42-36-37-43(3)38-39-46-41(45)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;1-5-6(2,3)4/h18-21H,4-17,22-39H2,1-3H3,(H,42,44);1H3,(H,2,3,4)

InChIKey

InChIKey=ROAKSCITFUYHQN-UHFFFAOYSA-N

SMILES

C(N(CCOC(CCCCCCCC=CCCCCCCCC)=O)C)CNC(CCCCCCCC=CCCCCCCCC)=O.S(OC)(=O)(=O)O

Canonical SMILES

O=C(OCCN(C)CCNC(=O)CCCCCCCC=CCCCCCCCC)CCCCCCCC=CCCCCCCCC.O=S(=O)(O)OC

Other Names for this Substance