1,3-bis[[(Z)-octadec-9-enyl]amino]propan-2-yl 2-tetradecylsulfanylethanoate

Systemtic Name: 1,3-bis[[(Z)-octadec-9-enyl]amino]propan-2-yl 2-tetradecylsulfanylethanoate Openeye Name: [2-[[(Z)-octadec-9-enyl]amino]-1-[[[(Z)-octadec-9-enyl]amino]methyl]ethyl] 2-tetradecylsulfanylacetate CAS Name: 2-(tetradecylthio)acetic acid 1,3-bis[[(Z)-octadec-9-enyl]amino]propan-2-yl ester IUPAC Name: 1,3-bis[[(Z)-octadec-9-enyl]amino]propan-2-yl 2-tetradecylsulfanylacetate Traditional Name: 2-(myristylthio)acetic acid [2-[[(Z)-octadec-9-enyl]amino]-1-[[[(Z)-octadec-9-enyl]amino]methyl]ethyl] ester Formula: C55H108N2O2S MolecularWeight: 861.52322

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCSCC(=O)OC(CNCCCCCCCCC=CCCCCCCCC)CNCCCCCCCCC=CCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCSCC(=O)OC(CNCCCCCCCC/C=C\CCCCCCCC)CNCCCCCCCC/C=C\CCCCCCCC

InChI

InChI=1S/C55H108N2O2S/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-56-51-54(59-55(58)53-60-50-47-44-41-38-35-24-21-18-15-12-9-6-3)52-57-49-46-43-40-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h25-28,54,56-57H,4-24,29-53H2,1-3H3/b27-25-,28-26-