[2-[(E)-octadec-9-enoyl]oxy-1-oxidanyl-4-oxidanylidene-nonadecan-3-yl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [2-[(E)-octadec-9-enoyl]oxy-1-oxidanyl-4-oxidanylidene-nonadecan-3-yl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [1-[2-hydroxy-1-[(E)-octadec-9-enoyl]oxy-ethyl]-2-oxo-heptadecyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [1-hydroxy-4-oxo-2-[(E)-1-oxooctadec-9-enoxy]nonadecan-3-yl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [1-hydroxy-2-[(E)-octadec-9-enoyl]oxy-4-oxononadecan-3-yl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [1-[2-hydroxy-1-[(E)-octadec-9-enoyl]oxy-ethyl]-2-keto-heptadecyl] 2-(trimethylammonio)ethyl phosphate Formula: C42H82NO8P MolecularWeight: 760.076141

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)C(C(CO)OC(=O)CCCCCCCC=CCCCCCCCC)OP(=O)([O-])OCC[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)C(C(CO)OC(=O)CCCCCCC/C=C/CCCCCCCC)OP(=O)([O-])OCC[N+](C)(C)C

InChI

InChI=1S/C42H82NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-41(46)50-40(38-44)42(51-52(47,48)49-37-36-43(3,4)5)39(45)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h20-21,40,42,44H,6-19,22-38H2,1-5H3/b21-20+