methyl hydrogen sulfate; 2-[4-(2-octadecanoyloxyethyl)piperazin-1-yl]ethyl octadecanoate

Systemtic Name: methyl hydrogen sulfate; 2-[4-(2-octadecanoyloxyethyl)piperazin-1-yl]ethyl octadecanoate Openeye Name: methyl hydrogen sulfate; 2-[4-(2-octadecanoyloxyethyl)piperazin-1-yl]ethyl octadecanoate CAS Name: octadecanoic acid 2-[4-[2-(1-oxooctadecoxy)ethyl]-1-piperazinyl]ethyl ester; sulfuric acid methyl ester IUPAC Name: methyl hydrogen sulfate; 2-[4-(2-octadecanoyloxyethyl)piperazin-1-yl]ethyl octadecanoate Traditional Name: stearic acid 2-[4-(2-stearoyloxyethyl)piperazino]ethyl ester; sulfuric acid methyl ester Formula: C46H94N2O12S2 MolecularWeight: 931.37476

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCCN1CCN(CC1)CCOC(=O)CCCCCCCCCCCCCCCCC.COS(=O)(=O)O.COS(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCCN1CCN(CC1)CCOC(=O)CCCCCCCCCCCCCCCCC.COS(=O)(=O)O.COS(=O)(=O)O

InChI

InChI=1S/C44H86N2O4.2CH4O4S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-43(47)49-41-39-45-35-37-46(38-36-45)40-42-50-44(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;2*1-5-6(2,3)4/h3-42H2,1-2H3;2*1H3,(H,2,3,4)