3,4-bis(2-ethylhexoxycarbonyl)cyclohexane-1-carboxylic acid

Systemtic Name: 3,4-bis(2-ethylhexoxycarbonyl)cyclohexane-1-carboxylic acid Openeye Name: 3,4-bis(2-ethylhexoxycarbonyl)cyclohexanecarboxylic acid CAS Name: 3,4-bis[2-ethylhexoxy(oxo)methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 3,4-bis(2-ethylhexoxycarbonyl)cyclohexane-1-carboxylic acid Traditional Name: 3,4-bis(2-ethylhexoxycarbonyl)cyclohexanecarboxylic acid Formula: C25H44O6 MolecularWeight: 440.61326

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC(=O)C1CCC(CC1C(=O)OCC(CC)CCCC)C(=O)O

Isomeric SMILES

CCCCC(CC)COC(=O)C1CCC(CC1C(=O)OCC(CC)CCCC)C(=O)O

InChI

InChI=1S/C25H44O6/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/h18-22H,5-17H2,1-4H3,(H,26,27)