3-[bis[(E)-octadec-9-enoyl]amino]propyl octadecanoate

Systemtic Name: 3-[bis[(E)-octadec-9-enoyl]amino]propyl octadecanoate Openeye Name: 3-[bis[(E)-octadec-9-enoyl]amino]propyl octadecanoate CAS Name: octadecanoic acid 3-[bis[(E)-1-oxooctadec-9-enyl]amino]propyl ester IUPAC Name: 3-[bis[(E)-octadec-9-enoyl]amino]propyl octadecanoate Traditional Name: stearic acid 3-[bis[(E)-octadec-9-enoyl]amino]propyl ester Formula: C57H107NO4 MolecularWeight: 870.46378

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCCCN(C(=O)CCCCCCCC=CCCCCCCCC)C(=O)CCCCCCCC=CCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCCCN(C(=O)CCCCCCC/C=C/CCCCCCCC)C(=O)CCCCCCC/C=C/CCCCCCCC

InChI

InChI=1S/C57H107NO4/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-50-55(59)58(56(60)51-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)53-49-54-62-57(61)52-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h25-26,28-29H,4-24,27,30-54H2,1-3H3/b28-25+,29-26+