3,5-bis(octoxycarbonyl)cyclohexane-1-carboxylic acid

Systemtic Name: 3,5-bis(octoxycarbonyl)cyclohexane-1-carboxylic acid Openeye Name: 3,5-bis(octoxycarbonyl)cyclohexanecarboxylic acid CAS Name: 3,5-bis[octoxy(oxo)methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 3,5-bis(octoxycarbonyl)cyclohexane-1-carboxylic acid Traditional Name: 3,5-bis(octoxycarbonyl)cyclohexanecarboxylic acid Formula: C25H44O6 MolecularWeight: 440.61326

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1CC(CC(C1)C(=O)OCCCCCCCC)C(=O)O

Isomeric SMILES

CCCCCCCCOC(=O)C1CC(CC(C1)C(=O)OCCCCCCCC)C(=O)O

InChI

InChI=1S/C25H44O6/c1-3-5-7-9-11-13-15-30-24(28)21-17-20(23(26)27)18-22(19-21)25(29)31-16-14-12-10-8-6-4-2/h20-22H,3-19H2,1-2H3,(H,26,27)