[3-[3,3-dimethylbutoxy(oxidanyl)phosphoryl]oxy-2-hexanoyloxy-propyl] hexanoate

Systemtic Name: [3-[3,3-dimethylbutoxy(oxidanyl)phosphoryl]oxy-2-hexanoyloxy-propyl] hexanoate Openeye Name: [3-[3,3-dimethylbutoxy(hydroxy)phosphoryl]oxy-2-hexanoyloxy-propyl] hexanoate CAS Name: hexanoic acid [3-[3,3-dimethylbutoxy(hydroxy)phosphoryl]oxy-2-(1-oxohexoxy)propyl] ester IUPAC Name: [3-[3,3-dimethylbutoxy(hydroxy)phosphoryl]oxy-2-hexanoyloxypropyl] hexanoate Traditional Name: hexanoic acid [2-caproyloxy-3-[3,3-dimethylbutoxy(hydroxy)phosphoryl]oxy-propyl] ester Formula: C21H41O8P MolecularWeight: 452.519201

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OCC(COP(=O)(O)OCCC(C)(C)C)OC(=O)CCCCC

Isomeric SMILES

CCCCCC(=O)OCC(COP(=O)(O)OCCC(C)(C)C)OC(=O)CCCCC

InChI

InChI=1S/C21H41O8P/c1-6-8-10-12-19(22)26-16-18(29-20(23)13-11-9-7-2)17-28-30(24,25)27-15-14-21(3,4)5/h18H,6-17H2,1-5H3,(H,24,25)