7-methyloctanoic acid; 2-(2-octanoyloxyethoxy)ethyl octanoate

Systemtic Name: 7-methyloctanoic acid; 2-(2-octanoyloxyethoxy)ethyl octanoate Openeye Name: 7-methyloctanoic acid; 2-(2-octanoyloxyethoxy)ethyl octanoate CAS Name: 7-methyloctanoic acid; octanoic acid 2-[2-(1-oxooctoxy)ethoxy]ethyl ester IUPAC Name: 7-methyloctanoic acid; 2-(2-octanoyloxyethoxy)ethyl octanoate Traditional Name: caprylic acid 2-(2-caprylyloxyethoxy)ethyl ester; 7-methylcaprylic acid Formula: C38H74O9 MolecularWeight: 674.98876

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OCCOCCOC(=O)CCCCCCC.CC(C)CCCCCC(=O)O.CC(C)CCCCCC(=O)O

Isomeric SMILES

CCCCCCCC(=O)OCCOCCOC(=O)CCCCCCC.CC(C)CCCCCC(=O)O.CC(C)CCCCCC(=O)O

InChI

InChI=1S/C20H38O5.2C9H18O2/c1-3-5-7-9-11-13-19(21)24-17-15-23-16-18-25-20(22)14-12-10-8-6-4-2;2*1-8(2)6-4-3-5-7-9(10)11/h3-18H2,1-2H3;2*8H,3-7H2,1-2H3,(H,10,11)