3,4-bis(octoxycarbonyl)cyclohexane-1-carboxylic acid

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1CCC(CC1C(=O)OCCCCCCCC)C(=O)O

Isomeric SMILES

CCCCCCCCOC(=O)C1CCC(CC1C(=O)OCCCCCCCC)C(=O)O

InChI

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