[4,5-dicarboxyoxy-2-(16-methylheptadecoxycarbonyloxy)cyclohexyl] 16-methylheptadecyl carbonate

Systemtic Name: [4,5-dicarboxyoxy-2-(16-methylheptadecoxycarbonyloxy)cyclohexyl] 16-methylheptadecyl carbonate Openeye Name: [4,5-dicarboxyoxy-2-(16-methylheptadecoxycarbonyloxy)cyclohexyl] 16-methylheptadecyl carbonate CAS Name: carbonic acid [4,5-dicarboxyoxy-2-[16-methylheptadecoxy(oxo)methoxy]cyclohexyl] 16-methylheptadecyl ester IUPAC Name: [4,5-dicarboxyoxy-2-(16-methylheptadecoxycarbonyloxy)cyclohexyl] 16-methylheptadecyl carbonate Traditional Name: carbonic acid [4,5-dicarboxyoxy-2-(16-methylheptadecoxycarbonyloxy)cyclohexyl] 16-methylheptadecyl ester Formula: C46H84O12 MolecularWeight: 829.15196

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCCCCCCCOC(=O)OC1CC(C(CC1OC(=O)OCCCCCCCCCCCCCCCC(C)C)OC(=O)O)OC(=O)O

Isomeric SMILES

CC(C)CCCCCCCCCCCCCCCOC(=O)OC1CC(C(CC1OC(=O)OCCCCCCCCCCCCCCCC(C)C)OC(=O)O)OC(=O)O

InChI

InChI=1S/C46H84O12/c1-37(2)31-27-23-19-15-11-7-5-9-13-17-21-25-29-33-53-45(51)57-41-35-39(55-43(47)48)40(56-44(49)50)36-42(41)58-46(52)54-34-30-26-22-18-14-10-6-8-12-16-20-24-28-32-38(3)4/h37-42H,5-36H2,1-4H3,(H,47,48)(H,49,50)