3,4-bis(8-methylnonoxycarbonyl)cyclohexane-1-carboxylic acid

Systemtic Name: 3,4-bis(8-methylnonoxycarbonyl)cyclohexane-1-carboxylic acid Openeye Name: 3,4-bis(8-methylnonoxycarbonyl)cyclohexanecarboxylic acid CAS Name: 3,4-bis[8-methylnonoxy(oxo)methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 3,4-bis(8-methylnonoxycarbonyl)cyclohexane-1-carboxylic acid Traditional Name: 3,4-bis(8-methylnonoxycarbonyl)cyclohexanecarboxylic acid Formula: C29H52O6 MolecularWeight: 496.71958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCOC(=O)C1CCC(CC1C(=O)OCCCCCCCC(C)C)C(=O)O

Isomeric SMILES

CC(C)CCCCCCCOC(=O)C1CCC(CC1C(=O)OCCCCCCCC(C)C)C(=O)O

InChI

InChI=1S/C29H52O6/c1-22(2)15-11-7-5-9-13-19-34-28(32)25-18-17-24(27(30)31)21-26(25)29(33)35-20-14-10-6-8-12-16-23(3)4/h22-26H,5-21H2,1-4H3,(H,30,31)