[3-heptanoyloxy-2,2-bis(heptanoyloxymethyl)propyl] heptanoate; (3-heptanoyloxy-2,2-dimethyl-propyl) heptanoate

Systemtic Name: [3-heptanoyloxy-2,2-bis(heptanoyloxymethyl)propyl] heptanoate; (3-heptanoyloxy-2,2-dimethyl-propyl) heptanoate Openeye Name: [3-heptanoyloxy-2,2-bis(heptanoyloxymethyl)propyl] heptanoate; (3-heptanoyloxy-2,2-dimethyl-propyl) heptanoate CAS Name: heptanoic acid [2,2-dimethyl-3-(1-oxoheptoxy)propyl] ester; heptanoic acid [3-(1-oxoheptoxy)-2,2-bis(1-oxoheptoxymethyl)propyl] ester IUPAC Name: [3-heptanoyloxy-2,2-bis(heptanoyloxymethyl)propyl] heptanoate; (3-heptanoyloxy-2,2-dimethylpropyl) heptanoate Traditional Name: enanthic acid [3-enanthyloxy-2,2-bis(enanthyloxymethyl)propyl] ester; enanthic acid (3-enanthyloxy-2,2-dimethyl-propyl) ester Formula: C52H96O12 MolecularWeight: 913.31144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H60O8.C19H36O4/c1-5-9-13-17-21-29(34)38-25-33(26-39-30(35)22-18-14-10-6-2,27-40-31(36)23-19-15-11-7-3)28-41-32(37)24-20-16-12-8-4;1-5-7-9-11-13-17(20)22-15-19(3,4)16-23-18(21)14-12-10-8-6-2/h5-28H2,1-4H3;5-16H2,1-4H3