bis(2-ethylhexyl) 2-[[3,4-bis(oxidanyl)phenyl]methyl]propanedioate

Systemtic Name: bis(2-ethylhexyl) 2-[[3,4-bis(oxidanyl)phenyl]methyl]propanedioate Openeye Name: bis(2-ethylhexyl) 2-[(3,4-dihydroxyphenyl)methyl]propanedioate CAS Name: 2-[(3,4-dihydroxyphenyl)methyl]propanedioic acid bis(2-ethylhexyl) ester IUPAC Name: bis(2-ethylhexyl) 2-[(3,4-dihydroxyphenyl)methyl]propanedioate Traditional Name: 2-protocatechuylmalonic acid bis(2-ethylhexyl) ester Formula: C26H42O6 MolecularWeight: 450.60808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC(=O)C(CC1=CC(=C(C=C1)O)O)C(=O)OCC(CC)CCCC

Isomeric SMILES

CCCCC(CC)COC(=O)C(CC1=CC(=C(C=C1)O)O)C(=O)OCC(CC)CCCC

InChI

InChI=1S/C26H42O6/c1-5-9-11-19(7-3)17-31-25(29)22(15-21-13-14-23(27)24(28)16-21)26(30)32-18-20(8-4)12-10-6-2/h13-14,16,19-20,22,27-28H,5-12,15,17-18H2,1-4H3