ethyl hydrogen sulfate; 2-[ethyl-[2-(octadecanoylamino)ethyl]amino]ethyl octadecanoate

Systemtic Name: ethyl hydrogen sulfate; 2-[ethyl-[2-(octadecanoylamino)ethyl]amino]ethyl octadecanoate Openeye Name: ethyl hydrogen sulfate; 2-[ethyl-[2-(octadecanoylamino)ethyl]amino]ethyl octadecanoate CAS Name: octadecanoic acid 2-[ethyl-[2-(1-oxooctadecylamino)ethyl]amino]ethyl ester; sulfuric acid ethyl ester IUPAC Name: ethyl hydrogen sulfate; 2-[ethyl-[2-(octadecanoylamino)ethyl]amino]ethyl octadecanoate Traditional Name: stearic acid 2-[ethyl(2-stearamidoethyl)amino]ethyl ester; sulfuric acid ethyl ester Formula: C44H90N2O7S MolecularWeight: 791.2596

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NCCN(CC)CCOC(=O)CCCCCCCCCCCCCCCCC.CCOS(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NCCN(CC)CCOC(=O)CCCCCCCCCCCCCCCCC.CCOS(=O)(=O)O

InChI

InChI=1S/C42H84N2O3.C2H6O4S/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-41(45)43-37-38-44(6-3)39-40-47-42(46)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2;1-2-6-7(3,4)5/h4-40H2,1-3H3,(H,43,45);2H2,1H3,(H,3,4,5)