[3-carboxyoxy-5-(16-methylheptadecoxycarbonyloxy)cyclohexyl] 16-methylheptadecyl carbonate

Systemtic Name: [3-carboxyoxy-5-(16-methylheptadecoxycarbonyloxy)cyclohexyl] 16-methylheptadecyl carbonate Openeye Name: [3-carboxyoxy-5-(16-methylheptadecoxycarbonyloxy)cyclohexyl] 16-methylheptadecyl carbonate CAS Name: carbonic acid [3-carboxyoxy-5-[16-methylheptadecoxy(oxo)methoxy]cyclohexyl] 16-methylheptadecyl ester IUPAC Name: [3-carboxyoxy-5-(16-methylheptadecoxycarbonyloxy)cyclohexyl] 16-methylheptadecyl carbonate Traditional Name: carbonic acid [3-carboxyoxy-5-(16-methylheptadecoxycarbonyloxy)cyclohexyl] 16-methylheptadecyl ester Formula: C45H84O9 MolecularWeight: 769.14306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCCCCCCCOC(=O)OC1CC(CC(C1)OC(=O)OCCCCCCCCCCCCCCCC(C)C)OC(=O)O

Isomeric SMILES

CC(C)CCCCCCCCCCCCCCCOC(=O)OC1CC(CC(C1)OC(=O)OCCCCCCCCCCCCCCCC(C)C)OC(=O)O

InChI

InChI=1S/C45H84O9/c1-38(2)31-27-23-19-15-11-7-5-9-13-17-21-25-29-33-50-44(48)53-41-35-40(52-43(46)47)36-42(37-41)54-45(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)