[(E)-18-[1,3-bis[[(E)-12-oxidanyl-13-(trimethylazaniumyl)octadec-9-enoyl]oxy]propan-2-yloxy]-7-oxidanyl-18-oxidanylidene-octadec-9-en-6-yl]-trimethyl-azanium

Systemtic Name: [(E)-18-[1,3-bis[[(E)-12-oxidanyl-13-(trimethylazaniumyl)octadec-9-enoyl]oxy]propan-2-yloxy]-7-oxidanyl-18-oxidanylidene-octadec-9-en-6-yl]-trimethyl-azanium Openeye Name: [(E)-13-[2,3-bis[[(E)-12-hydroxy-13-(trimethylammonio)octadec-9-enoyl]oxy]propoxy]-2-hydroxy-13-oxo-1-pentyl-tridec-4-enyl]-trimethyl-ammonium CAS Name: [(E)-18-[1,3-bis[(E)-12-hydroxy-1-oxo-13-(trimethylammonio)octadec-9-enoxy]propan-2-yloxy]-7-hydroxy-18-oxooctadec-9-en-6-yl]-trimethylammonium IUPAC Name: [(E)-18-[1,3-bis[[(E)-12-hydroxy-13-(trimethylazaniumyl)octadec-9-enoyl]oxy]propan-2-yloxy]-7-hydroxy-18-oxooctadec-9-en-6-yl]-trimethylazanium Traditional Name: [(E)-1-amyl-13-[2,3-bis[[(E)-12-hydroxy-13-(trimethylammonio)octadec-9-enoyl]oxy]propoxy]-2-hydroxy-13-keto-tridec-4-enyl]-trimethyl-ammonium Formula: C66H128N3O9+3 MolecularWeight: 1107.73722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C66H128N3O9/c1-13-16-37-46-58(67(4,5)6)61(70)49-40-31-25-19-22-28-34-43-52-64(73)76-55-57(78-66(75)54-45-36-30-24-21-27-33-42-51-63(72)60(69(10,11)12)48-39-18-15-3)56-77-65(74)53-44-35-29-23-20-26-32-41-50-62(71)59(68(7,8)9)47-38-17-14-2/h31-33,40-42,57-63,70-72H,13-30,34-39,43-56H2,1-12H3/q+3/b40-31+,41-32+,42-33+