2,3-bis[[(E)-13-azanyl-12-oxidanyl-octadec-9-enoyl]oxy]propyl (E)-13-azanyl-12-oxidanyl-octadec-9-enoate

Systemtic Name: 2,3-bis[[(E)-13-azanyl-12-oxidanyl-octadec-9-enoyl]oxy]propyl (E)-13-azanyl-12-oxidanyl-octadec-9-enoate Openeye Name: 2,3-bis[[(E)-13-amino-12-hydroxy-octadec-9-enoyl]oxy]propyl (E)-13-amino-12-hydroxy-octadec-9-enoate CAS Name: (E)-13-amino-12-hydroxy-9-octadecenoic acid 2,3-bis[(E)-13-amino-12-hydroxy-1-oxooctadec-9-enoxy]propyl ester IUPAC Name: 2,3-bis[[(E)-13-amino-12-hydroxyoctadec-9-enoyl]oxy]propyl (E)-13-amino-12-hydroxyoctadec-9-enoate Traditional Name: (E)-13-amino-12-hydroxy-octadec-9-enoic acid 2,3-bis[[(E)-13-amino-12-hydroxy-octadec-9-enoyl]oxy]propyl ester Formula: C57H107N3O9 MolecularWeight: 978.47418

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C(CC=CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=CCC(C(CCCCC)N)O)OC(=O)CCCCCCCC=CCC(C(CCCCC)N)O)O)N

Isomeric SMILES

CCCCCC(N)C(O)C/C=C/CCCCCCCC(=O)OCC(OC(=O)CCCCCCC/C=C/CC(O)C(N)CCCCC)COC(=O)CCCCCCC/C=C/CC(O)C(N)CCCCC

InChI

InChI=1S/C57H107N3O9/c1-4-7-28-37-49(58)52(61)40-31-22-16-10-13-19-25-34-43-55(64)67-46-48(69-57(66)45-36-27-21-15-12-18-24-33-42-54(63)51(60)39-30-9-6-3)47-68-56(65)44-35-26-20-14-11-17-23-32-41-53(62)50(59)38-29-8-5-2/h22-24,31-33,48-54,61-63H,4-21,25-30,34-47,58-60H2,1-3H3/b31-22+,32-23+,33-24+