[2-ethyl-2-(7-methyloctanoyloxymethyl)hexyl] 7-methyloctanoate

Systemtic Name: [2-ethyl-2-(7-methyloctanoyloxymethyl)hexyl] 7-methyloctanoate Openeye Name: [2-ethyl-2-(7-methyloctanoyloxymethyl)hexyl] 7-methyloctanoate CAS Name: 7-methyloctanoic acid [2-ethyl-2-[(7-methyl-1-oxooctoxy)methyl]hexyl] ester IUPAC Name: [2-ethyl-2-(7-methyloctanoyloxymethyl)hexyl] 7-methyloctanoate Traditional Name: 7-methylcaprylic acid [2-ethyl-2-(7-methyloctanoyloxymethyl)hexyl] ester Formula: C27H52O4 MolecularWeight: 440.69938

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)(COC(=O)CCCCCC(C)C)COC(=O)CCCCCC(C)C

Isomeric SMILES

CCCCC(CC)(COC(=O)CCCCCC(C)C)COC(=O)CCCCCC(C)C

InChI

InChI=1S/C27H52O4/c1-7-9-20-27(8-2,21-30-25(28)18-14-10-12-16-23(3)4)22-31-26(29)19-15-11-13-17-24(5)6/h23-24H,7-22H2,1-6H3