[3-butanoyloxy-2,2-bis(butanoyloxymethyl)propyl] butanoate; (3-butanoyloxy-2,2-dimethyl-propyl) butanoate

Systemtic Name: [3-butanoyloxy-2,2-bis(butanoyloxymethyl)propyl] butanoate; (3-butanoyloxy-2,2-dimethyl-propyl) butanoate Openeye Name: [3-butanoyloxy-2,2-bis(butanoyloxymethyl)propyl] butanoate; (3-butanoyloxy-2,2-dimethyl-propyl) butanoate CAS Name: butanoic acid [2,2-dimethyl-3-(1-oxobutoxy)propyl] ester; butanoic acid [3-(1-oxobutoxy)-2,2-bis(1-oxobutoxymethyl)propyl] ester IUPAC Name: [3-butanoyloxy-2,2-bis(butanoyloxymethyl)propyl] butanoate; (3-butanoyloxy-2,2-dimethylpropyl) butanoate Traditional Name: butyric acid [3-butyryloxy-2,2-bis(butyryloxymethyl)propyl] ester; butyric acid (3-butyryloxy-2,2-dimethyl-propyl) ester Formula: C34H60O12 MolecularWeight: 660.833

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OCC(C)(C)COC(=O)CCC.CCCC(=O)OCC(COC(=O)CCC)(COC(=O)CCC)COC(=O)CCC

Isomeric SMILES

CCCC(=O)OCC(C)(C)COC(=O)CCC.CCCC(=O)OCC(COC(=O)CCC)(COC(=O)CCC)COC(=O)CCC

InChI

InChI=1S/C21H36O8.C13H24O4/c1-5-9-17(22)26-13-21(14-27-18(23)10-6-2,15-28-19(24)11-7-3)16-29-20(25)12-8-4;1-5-7-11(14)16-9-13(3,4)10-17-12(15)8-6-2/h5-16H2,1-4H3;5-10H2,1-4H3