[3-(2-butyloctanoyloxy)-2,2-bis(2-butyloctanoyloxymethyl)propyl] 2-butyloctanoate

Systemtic Name: [3-(2-butyloctanoyloxy)-2,2-bis(2-butyloctanoyloxymethyl)propyl] 2-butyloctanoate Openeye Name: [3-(2-butyloctanoyloxy)-2,2-bis(2-butyloctanoyloxymethyl)propyl] 2-butyloctanoate CAS Name: 2-butyloctanoic acid [3-(2-butyl-1-oxooctoxy)-2,2-bis[(2-butyl-1-oxooctoxy)methyl]propyl] ester IUPAC Name: [3-(2-butyloctanoyloxy)-2,2-bis(2-butyloctanoyloxymethyl)propyl] 2-butyloctanoate Traditional Name: 2-butylcaprylic acid [3-(2-butyloctanoyloxy)-2,2-bis(2-butyloctanoyloxymethyl)propyl] ester Formula: C53H100O8 MolecularWeight: 865.3563

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C53H100O8/c1-9-17-25-29-37-45(33-21-13-5)49(54)58-41-53(42-59-50(55)46(34-22-14-6)38-30-26-18-10-2,43-60-51(56)47(35-23-15-7)39-31-27-19-11-3)44-61-52(57)48(36-24-16-8)40-32-28-20-12-4/h45-48H,9-44H2,1-8H3