3,4-bis(2-ethylhexoxycarbonyl)benzoic acid

Systemtic Name: 3,4-bis(2-ethylhexoxycarbonyl)benzoic acid Openeye Name: 3,4-bis(2-ethylhexoxycarbonyl)benzoic acid CAS Name: 3,4-bis[2-ethylhexoxy(oxo)methyl]benzoic acid IUPAC Name: 3,4-bis(2-ethylhexoxycarbonyl)benzoic acid Traditional Name: 3,4-bis(2-ethylhexoxycarbonyl)benzoic acid Formula: C25H38O6 MolecularWeight: 434.56562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H38O6/c1-5-9-11-18(7-3)16-30-24(28)21-14-13-20(23(26)27)15-22(21)25(29)31-17-19(8-4)12-10-6-2/h13-15,18-19H,5-12,16-17H2,1-4H3,(H,26,27)