[4-(hydroxymethyl)-6-[4-[4-(hydroxymethyl)-6-[(E)-octadec-9-enoyl]oxy-2-oxa-5-azabicyclo[2.1.1]hex-1(5)-en-6-yl]butyl]-2-oxa-5-azabicyclo[2.1.1]hex-1(5)-en-6-yl] (E)-octadec-9-enoate

Systemtic Name: [4-(hydroxymethyl)-6-[4-[4-(hydroxymethyl)-6-[(E)-octadec-9-enoyl]oxy-2-oxa-5-azabicyclo[2.1.1]hex-1(5)-en-6-yl]butyl]-2-oxa-5-azabicyclo[2.1.1]hex-1(5)-en-6-yl] (E)-octadec-9-enoate Openeye Name: [4-(hydroxymethyl)-6-[4-[4-(hydroxymethyl)-6-[(E)-octadec-9-enoyl]oxy-2-oxa-5-azabicyclo[2.1.1]hex-1(5)-en-6-yl]butyl]-2-oxa-5-azabicyclo[2.1.1]hex-1(5)-en-6-yl] (E)-octadec-9-enoate CAS Name: (E)-9-octadecenoic acid [4-(hydroxymethyl)-6-[4-[4-(hydroxymethyl)-6-[(E)-1-oxooctadec-9-enoxy]-2-oxa-5-azabicyclo[2.1.1]hex-1(5)-en-6-yl]butyl]-2-oxa-5-azabicyclo[2.1.1]hex-1(5)-en-6-yl] ester IUPAC Name: [4-(hydroxymethyl)-6-[4-[4-(hydroxymethyl)-6-[(E)-octadec-9-enoyl]oxy-2-oxa-5-azabicyclo[2.1.1]hex-1(5)-en-6-yl]butyl]-2-oxa-5-azabicyclo[2.1.1]hex-1(5)-en-6-yl] (E)-octadec-9-enoate Traditional Name: (E)-octadec-9-enoic acid [4-methylol-6-[4-[4-methylol-6-[(E)-octadec-9-enoyl]oxy-2-oxa-5-azabicyclo[2.1.1]hex-1(5)-en-6-yl]butyl]-2-oxa-5-azabicyclo[2.1.1]hex-1(5)-en-6-yl] ester Formula: C50H84N2O8 MolecularWeight: 841.21056

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OC1(C2=NC1(CO2)CO)CCCCC3(C4=NC3(CO4)CO)OC(=O)CCCCCCCC=CCCCCCCCC

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OC1(C2(N=C1OC2)CO)CCCCC3(C4(N=C3OC4)CO)OC(=O)CCCCCCC/C=C/CCCCCCCC

InChI

InChI=1S/C50H84N2O8/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35-43(55)59-49(45-51-47(49,39-53)41-57-45)37-33-34-38-50(46-52-48(50,40-54)42-58-46)60-44(56)36-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,53-54H,3-16,21-42H2,1-2H3/b19-17+,20-18+