[(1R,2S)-2-(hexadecanoyloxymethyl)-3-(phosphonooxymethyl)cyclopropyl]methyl hexadecanoate

Systemtic Name: [(1R,2S)-2-(hexadecanoyloxymethyl)-3-(phosphonooxymethyl)cyclopropyl]methyl hexadecanoate Openeye Name: [(1R,2S)-2-(hexadecanoyloxymethyl)-3-(phosphonooxymethyl)cyclopropyl]methyl hexadecanoate CAS Name: hexadecanoic acid [(1R,2S)-2-(1-oxohexadecoxymethyl)-3-(phosphonooxymethyl)cyclopropyl]methyl ester IUPAC Name: [(1R,2S)-2-(hexadecanoyloxymethyl)-3-(phosphonooxymethyl)cyclopropyl]methyl hexadecanoate Traditional Name: palmitic acid [(1R,2S)-2-(hexadecanoyloxymethyl)-3-(phosphonooxymethyl)cyclopropyl]methyl ester Formula: C38H73O8P MolecularWeight: 688.955181

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC1C(C1COP(=O)(O)O)COC(=O)CCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC[C@@H]1[C@@H](C1COP(=O)(O)O)COC(=O)CCCCCCCCCCCCCCC

InChI

InChI=1S/C38H73O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-37(39)44-31-34-35(36(34)33-46-47(41,42)43)32-45-38(40)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h34-36H,3-33H2,1-2H3,(H2,41,42,43)/t34-,35+,36?