[5-(2-butyloctanoyloxy)-4-(2-butyloctanoyloxymethyl)-6-methyl-pyridin-3-yl]methyl 2-butyloctanoate

Systemtic Name: [5-(2-butyloctanoyloxy)-4-(2-butyloctanoyloxymethyl)-6-methyl-pyridin-3-yl]methyl 2-butyloctanoate Openeye Name: [5-(2-butyloctanoyloxy)-4-(2-butyloctanoyloxymethyl)-6-methyl-3-pyridyl]methyl 2-butyloctanoate CAS Name: 2-butyloctanoic acid [5-(2-butyl-1-oxooctoxy)-4-[(2-butyl-1-oxooctoxy)methyl]-6-methyl-3-pyridinyl]methyl ester IUPAC Name: [5-(2-butyloctanoyloxy)-4-(2-butyloctanoyloxymethyl)-6-methylpyridin-3-yl]methyl 2-butyloctanoate Traditional Name: 2-butylcaprylic acid [5-(2-butyloctanoyloxy)-4-(2-butyloctanoyloxymethyl)-6-methyl-3-pyridyl]methyl ester Formula: C44H77NO6 MolecularWeight: 716.08528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCCC)C(=O)OCC1=CN=C(C(=C1COC(=O)C(CCCC)CCCCCC)OC(=O)C(CCCC)CCCCCC)C

Isomeric SMILES

CCCCCCC(CCCC)C(=O)OCC1=CN=C(C(=C1COC(=O)C(CCCC)CCCCCC)OC(=O)C(CCCC)CCCCCC)C

InChI

InChI=1S/C44H77NO6/c1-8-14-20-23-29-36(26-17-11-4)42(46)49-33-39-32-45-35(7)41(51-44(48)38(28-19-13-6)31-25-22-16-10-3)40(39)34-50-43(47)37(27-18-12-5)30-24-21-15-9-2/h32,36-38H,8-31,33-34H2,1-7H3