3,5-bis(16-methylheptadecoxycarbonyl)cyclohexane-1-carboxylic acid

Systemtic Name: 3,5-bis(16-methylheptadecoxycarbonyl)cyclohexane-1-carboxylic acid Openeye Name: 3,5-bis(16-methylheptadecoxycarbonyl)cyclohexanecarboxylic acid CAS Name: 3,5-bis[16-methylheptadecoxy(oxo)methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 3,5-bis(16-methylheptadecoxycarbonyl)cyclohexane-1-carboxylic acid Traditional Name: 3,5-bis(16-methylheptadecoxycarbonyl)cyclohexanecarboxylic acid Formula: C45H84O6 MolecularWeight: 721.14486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCCCCCCCOC(=O)C1CC(CC(C1)C(=O)OCCCCCCCCCCCCCCCC(C)C)C(=O)O

Isomeric SMILES

CC(C)CCCCCCCCCCCCCCCOC(=O)C1CC(CC(C1)C(=O)OCCCCCCCCCCCCCCCC(C)C)C(=O)O

InChI

InChI=1S/C45H84O6/c1-38(2)31-27-23-19-15-11-7-5-9-13-17-21-25-29-33-50-44(48)41-35-40(43(46)47)36-42(37-41)45(49)51-34-30-26-22-18-14-10-6-8-12-16-20-24-28-32-39(3)4/h38-42H,5-37H2,1-4H3,(H,46,47)