[1,1-bis(2-ethylhexanoyloxy)-1,2,3-tris(oxidanyl)propan-2-yl] 2-ethylhexanoate

Systemtic Name: [1,1-bis(2-ethylhexanoyloxy)-1,2,3-tris(oxidanyl)propan-2-yl] 2-ethylhexanoate Openeye Name: [2,2-bis(2-ethylhexanoyloxy)-1,2-dihydroxy-1-(hydroxymethyl)ethyl] 2-ethylhexanoate CAS Name: 2-ethylhexanoic acid [1,1-bis(2-ethyl-1-oxohexoxy)-1,2,3-trihydroxypropan-2-yl] ester IUPAC Name: [1,1-bis(2-ethylhexanoyloxy)-1,2,3-trihydroxypropan-2-yl] 2-ethylhexanoate Traditional Name: 2-ethylhexanoic acid [2,2-bis(2-ethylhexanoyloxy)-1,2-dihydroxy-1-methylol-ethyl] ester Formula: C27H50O9 MolecularWeight: 518.6805

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)OC(CO)(C(O)(OC(=O)C(CC)CCCC)OC(=O)C(CC)CCCC)O

Isomeric SMILES

CCCCC(CC)C(=O)OC(CO)(C(O)(OC(=O)C(CC)CCCC)OC(=O)C(CC)CCCC)O

InChI

InChI=1S/C27H50O9/c1-7-13-16-20(10-4)23(29)34-26(32,19-28)27(33,35-24(30)21(11-5)17-14-8-2)36-25(31)22(12-6)18-15-9-3/h20-22,28,32-33H,7-19H2,1-6H3