[2-(hydroxymethyl)-3-octanoyloxy-2-(octanoyloxymethyl)propyl] octanoate

Systemtic Name: [2-(hydroxymethyl)-3-octanoyloxy-2-(octanoyloxymethyl)propyl] octanoate Openeye Name: [2-(hydroxymethyl)-3-octanoyloxy-2-(octanoyloxymethyl)propyl] octanoate CAS Name: octanoic acid [2-(hydroxymethyl)-3-(1-oxooctoxy)-2-(1-oxooctoxymethyl)propyl] ester IUPAC Name: [2-(hydroxymethyl)-3-octanoyloxy-2-(octanoyloxymethyl)propyl] octanoate Traditional Name: caprylic acid [2,2-bis(caprylyloxymethyl)-3-hydroxy-propyl] ester Formula: C29H54O7 MolecularWeight: 514.73486

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OCC(CO)(COC(=O)CCCCCCC)COC(=O)CCCCCCC

Isomeric SMILES

CCCCCCCC(=O)OCC(CO)(COC(=O)CCCCCCC)COC(=O)CCCCCCC

InChI

InChI=1S/C29H54O7/c1-4-7-10-13-16-19-26(31)34-23-29(22-30,24-35-27(32)20-17-14-11-8-5-2)25-36-28(33)21-18-15-12-9-6-3/h30H,4-25H2,1-3H3