[3-(7-methyloctanoyloxy)-2,2-bis(7-methyloctanoyloxymethyl)propyl] 7-methyloctanoate

Systemtic Name: [3-(7-methyloctanoyloxy)-2,2-bis(7-methyloctanoyloxymethyl)propyl] 7-methyloctanoate Openeye Name: [3-(7-methyloctanoyloxy)-2,2-bis(7-methyloctanoyloxymethyl)propyl] 7-methyloctanoate CAS Name: 7-methyloctanoic acid [3-(7-methyl-1-oxooctoxy)-2,2-bis[(7-methyl-1-oxooctoxy)methyl]propyl] ester IUPAC Name: [3-(7-methyloctanoyloxy)-2,2-bis(7-methyloctanoyloxymethyl)propyl] 7-methyloctanoate Traditional Name: 7-methylcaprylic acid [3-(7-methyloctanoyloxy)-2,2-bis(7-methyloctanoyloxymethyl)propyl] ester Formula: C41H76O8 MolecularWeight: 697.03734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C41H76O8/c1-33(2)21-13-9-17-25-37(42)46-29-41(30-47-38(43)26-18-10-14-22-34(3)4,31-48-39(44)27-19-11-15-23-35(5)6)32-49-40(45)28-20-12-16-24-36(7)8/h33-36H,9-32H2,1-8H3