[2-carboxyoxy-4,5-bis(10-methylundecoxycarbonyloxy)cyclohexyl] 10-methylundecyl carbonate

Systemtic Name: [2-carboxyoxy-4,5-bis(10-methylundecoxycarbonyloxy)cyclohexyl] 10-methylundecyl carbonate Openeye Name: [2-carboxyoxy-4,5-bis(10-methylundecoxycarbonyloxy)cyclohexyl] 10-methylundecyl carbonate CAS Name: carbonic acid [2-carboxyoxy-4,5-bis[10-methylundecoxy(oxo)methoxy]cyclohexyl] 10-methylundecyl ester IUPAC Name: [2-carboxyoxy-4,5-bis(10-methylundecoxycarbonyloxy)cyclohexyl] 10-methylundecyl carbonate Traditional Name: carbonic acid [2-carboxyoxy-4,5-bis(10-methylundecoxycarbonyloxy)cyclohexyl] 10-methylundecyl ester Formula: C46H84O12 MolecularWeight: 829.15196

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCOC(=O)OC1CC(C(CC1OC(=O)OCCCCCCCCCC(C)C)OC(=O)OCCCCCCCCCC(C)C)OC(=O)O

Isomeric SMILES

CC(C)CCCCCCCCCOC(=O)OC1CC(C(CC1OC(=O)OCCCCCCCCCC(C)C)OC(=O)OCCCCCCCCCC(C)C)OC(=O)O

InChI

InChI=1S/C46H84O12/c1-36(2)28-22-16-10-7-13-19-25-31-52-44(49)56-40-35-42(58-46(51)54-33-27-21-15-9-12-18-24-30-38(5)6)41(34-39(40)55-43(47)48)57-45(50)53-32-26-20-14-8-11-17-23-29-37(3)4/h36-42H,7-35H2,1-6H3,(H,47,48)