(2,2-dimethyl-3-octanoyloxy-propyl) octanoate; [3-octanoyloxy-2,2-bis(octanoyloxymethyl)propyl] octanoate

Systemtic Name: (2,2-dimethyl-3-octanoyloxy-propyl) octanoate; [3-octanoyloxy-2,2-bis(octanoyloxymethyl)propyl] octanoate Openeye Name: (2,2-dimethyl-3-octanoyloxy-propyl) octanoate; [3-octanoyloxy-2,2-bis(octanoyloxymethyl)propyl] octanoate CAS Name: octanoic acid [2,2-dimethyl-3-(1-oxooctoxy)propyl] ester; octanoic acid [3-(1-oxooctoxy)-2,2-bis(1-oxooctoxymethyl)propyl] ester IUPAC Name: (2,2-dimethyl-3-octanoyloxypropyl) octanoate; [3-octanoyloxy-2,2-bis(octanoyloxymethyl)propyl] octanoate Traditional Name: caprylic acid [3-caprylyloxy-2,2-bis(caprylyloxymethyl)propyl] ester; caprylic acid (3-caprylyloxy-2,2-dimethyl-propyl) ester Formula: C58H108O12 MolecularWeight: 997.47092

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OCC(C)(C)COC(=O)CCCCCCC.CCCCCCCC(=O)OCC(COC(=O)CCCCCCC)(COC(=O)CCCCCCC)COC(=O)CCCCCCC

Isomeric SMILES

CCCCCCCC(=O)OCC(C)(C)COC(=O)CCCCCCC.CCCCCCCC(=O)OCC(COC(=O)CCCCCCC)(COC(=O)CCCCCCC)COC(=O)CCCCCCC

InChI

InChI=1S/C37H68O8.C21H40O4/c1-5-9-13-17-21-25-33(38)42-29-37(30-43-34(39)26-22-18-14-10-6-2,31-44-35(40)27-23-19-15-11-7-3)32-45-36(41)28-24-20-16-12-8-4;1-5-7-9-11-13-15-19(22)24-17-21(3,4)18-25-20(23)16-14-12-10-8-6-2/h5-32H2,1-4H3;5-18H2,1-4H3