[3-(2-methylhexanoyloxy)-2,2-bis(2-methylhexanoyloxymethyl)propyl] 2-methylhexanoate

Systemtic Name: [3-(2-methylhexanoyloxy)-2,2-bis(2-methylhexanoyloxymethyl)propyl] 2-methylhexanoate Openeye Name: [3-(2-methylhexanoyloxy)-2,2-bis(2-methylhexanoyloxymethyl)propyl] 2-methylhexanoate CAS Name: 2-methylhexanoic acid [3-(2-methyl-1-oxohexoxy)-2,2-bis[(2-methyl-1-oxohexoxy)methyl]propyl] ester IUPAC Name: [3-(2-methylhexanoyloxy)-2,2-bis(2-methylhexanoyloxymethyl)propyl] 2-methylhexanoate Traditional Name: 2-methylhexanoic acid [3-(2-methylhexanoyloxy)-2,2-bis(2-methylhexanoyloxymethyl)propyl] ester Formula: C33H60O8 MolecularWeight: 584.8247

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)C(=O)OCC(COC(=O)C(C)CCCC)(COC(=O)C(C)CCCC)COC(=O)C(C)CCCC

Isomeric SMILES

CCCCC(C)C(=O)OCC(COC(=O)C(C)CCCC)(COC(=O)C(C)CCCC)COC(=O)C(C)CCCC

InChI

InChI=1S/C33H60O8/c1-9-13-17-25(5)29(34)38-21-33(22-39-30(35)26(6)18-14-10-2,23-40-31(36)27(7)19-15-11-3)24-41-32(37)28(8)20-16-12-4/h25-28H,9-24H2,1-8H3