[2-(heptanoyloxymethyl)-2-(hydroxymethyl)-3-oxidanyl-propyl] 7-methyloctanoate

Systemtic Name: [2-(heptanoyloxymethyl)-2-(hydroxymethyl)-3-oxidanyl-propyl] 7-methyloctanoate Openeye Name: [2-(heptanoyloxymethyl)-3-hydroxy-2-(hydroxymethyl)propyl] 7-methyloctanoate CAS Name: 7-methyloctanoic acid [2,2-bis(hydroxymethyl)-3-(1-oxoheptoxy)propyl] ester IUPAC Name: [2-(heptanoyloxymethyl)-3-hydroxy-2-(hydroxymethyl)propyl] 7-methyloctanoate Traditional Name: 7-methylcaprylic acid [2-(enanthyloxymethyl)-3-hydroxy-2-methylol-propyl] ester Formula: C21H40O6 MolecularWeight: 388.5387

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)OCC(CO)(CO)COC(=O)CCCCCC(C)C

Isomeric SMILES

CCCCCCC(=O)OCC(CO)(CO)COC(=O)CCCCCC(C)C

InChI

InChI=1S/C21H40O6/c1-4-5-6-9-12-19(24)26-16-21(14-22,15-23)17-27-20(25)13-10-7-8-11-18(2)3/h18,22-23H,4-17H2,1-3H3