[2-acetyloxy-3-[2-dimethylaminoethyloxy(oxidanyl)phosphoryl]oxy-propyl] octadecanoate

Systemtic Name: [2-acetyloxy-3-[2-dimethylaminoethyloxy(oxidanyl)phosphoryl]oxy-propyl] octadecanoate Openeye Name: [2-acetoxy-3-[2-dimethylaminoethyloxy(hydroxy)phosphoryl]oxy-propyl] octadecanoate CAS Name: octadecanoic acid [2-acetyloxy-3-[2-dimethylaminoethyloxy(hydroxy)phosphoryl]oxypropyl] ester IUPAC Name: [2-acetyloxy-3-[2-dimethylaminoethyloxy(hydroxy)phosphoryl]oxypropyl] octadecanoate Traditional Name: stearic acid [2-acetoxy-3-[2-dimethylaminoethyloxy(hydroxy)phosphoryl]oxy-propyl] ester Formula: C27H54NO8P MolecularWeight: 551.693321

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN(C)C)OC(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN(C)C)OC(=O)C

InChI

InChI=1S/C27H54NO8P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27(30)33-23-26(36-25(2)29)24-35-37(31,32)34-22-21-28(3)4/h26H,5-24H2,1-4H3,(H,31,32)