diazanium 3-[(E)-octadec-9-enoyl]oxypropyl (E)-octadec-9-enoate

Systemtic Name: diazanium 3-[(E)-octadec-9-enoyl]oxypropyl (E)-octadec-9-enoate Openeye Name: diammonium 3-[(E)-octadec-9-enoyl]oxypropyl (E)-octadec-9-enoate CAS Name: diammonium (E)-9-octadecenoic acid 3-[(E)-1-oxooctadec-9-enoxy]propyl ester IUPAC Name: diazanium 3-[(E)-octadec-9-enoyl]oxypropyl (E)-octadec-9-enoate Traditional Name: diammonium (E)-octadec-9-enoic acid 3-[(E)-octadec-9-enoyl]oxypropyl ester Formula: C39H80N2O4+2 MolecularWeight: 641.0635

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OCCCOC(=O)CCCCCCCC=CCCCCCCCC.[NH4+].[NH4+]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OCCCOC(=O)CCCCCCC/C=C/CCCCCCCC.[NH4+].[NH4+]

InChI

InChI=1S/C39H72O4.2H3N/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-34-38(40)42-36-33-37-43-39(41)35-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;;/h17-20H,3-16,21-37H2,1-2H3;2*1H3/p+2/b19-17+,20-18+;;