[1,4-bis(azanyl)-3-[(E)-octadec-9-enoyl]oxy-6-oxidanyl-hexan-2-yl] (E)-octadec-9-enoate

Systemtic Name: [1,4-bis(azanyl)-3-[(E)-octadec-9-enoyl]oxy-6-oxidanyl-hexan-2-yl] (E)-octadec-9-enoate Openeye Name: [3-amino-1-(aminomethyl)-5-hydroxy-2-[(E)-octadec-9-enoyl]oxy-pentyl] (E)-octadec-9-enoate CAS Name: (E)-9-octadecenoic acid [1,4-diamino-6-hydroxy-3-[(E)-1-oxooctadec-9-enoxy]hexan-2-yl] ester IUPAC Name: [1,4-diamino-6-hydroxy-3-[(E)-octadec-9-enoyl]oxyhexan-2-yl] (E)-octadec-9-enoate Traditional Name: (E)-octadec-9-enoic acid [3-amino-1-(aminomethyl)-5-hydroxy-2-[(E)-octadec-9-enoyl]oxy-pentyl] ester Formula: C42H80N2O5 MolecularWeight: 693.095

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OC(CN)C(C(CCO)N)OC(=O)CCCCCCCC=CCCCCCCCC

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OC(CN)C(C(CCO)N)OC(=O)CCCCCCC/C=C/CCCCCCCC

InChI

InChI=1S/C42H80N2O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(46)48-39(37-43)42(38(44)35-36-45)49-41(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,38-39,42,45H,3-16,21-37,43-44H2,1-2H3/b19-17+,20-18+