[3-carboxyoxy-5-(6-methylheptoxycarbonyloxy)cyclohexyl] 6-methylheptyl carbonate

Systemtic Name: [3-carboxyoxy-5-(6-methylheptoxycarbonyloxy)cyclohexyl] 6-methylheptyl carbonate Openeye Name: [3-carboxyoxy-5-(6-methylheptoxycarbonyloxy)cyclohexyl] 6-methylheptyl carbonate CAS Name: carbonic acid [3-carboxyoxy-5-[6-methylheptoxy(oxo)methoxy]cyclohexyl] 6-methylheptyl ester IUPAC Name: [3-carboxyoxy-5-(6-methylheptoxycarbonyloxy)cyclohexyl] 6-methylheptyl carbonate Traditional Name: carbonic acid [3-carboxyoxy-5-(6-methylheptoxycarbonyloxy)cyclohexyl] 6-methylheptyl ester Formula: C25H44O9 MolecularWeight: 488.61146

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCOC(=O)OC1CC(CC(C1)OC(=O)OCCCCCC(C)C)OC(=O)O

Isomeric SMILES

CC(C)CCCCCOC(=O)OC1CC(CC(C1)OC(=O)OCCCCCC(C)C)OC(=O)O

InChI

InChI=1S/C25H44O9/c1-18(2)11-7-5-9-13-30-24(28)33-21-15-20(32-23(26)27)16-22(17-21)34-25(29)31-14-10-6-8-12-19(3)4/h18-22H,5-17H2,1-4H3,(H,26,27)