[2-(hydroxymethyl)-2-methyl-3-(7-methyloctanoyloxy)propyl] 7-methyloctanoate

Systemtic Name: [2-(hydroxymethyl)-2-methyl-3-(7-methyloctanoyloxy)propyl] 7-methyloctanoate Openeye Name: [2-(hydroxymethyl)-2-methyl-3-(7-methyloctanoyloxy)propyl] 7-methyloctanoate CAS Name: 7-methyloctanoic acid [2-(hydroxymethyl)-2-methyl-3-(7-methyl-1-oxooctoxy)propyl] ester IUPAC Name: [2-(hydroxymethyl)-2-methyl-3-(7-methyloctanoyloxy)propyl] 7-methyloctanoate Traditional Name: 7-methylcaprylic acid [3-hydroxy-2-methyl-2-(7-methyloctanoyloxymethyl)propyl] ester Formula: C23H44O5 MolecularWeight: 400.59246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H44O5/c1-19(2)12-8-6-10-14-21(25)27-17-23(5,16-24)18-28-22(26)15-11-7-9-13-20(3)4/h19-20,24H,6-18H2,1-5H3