[2-carboxyoxy-6-(6-methylheptoxycarbonyloxy)cyclohexyl] 6-methylheptyl carbonate

Systemtic Name: [2-carboxyoxy-6-(6-methylheptoxycarbonyloxy)cyclohexyl] 6-methylheptyl carbonate Openeye Name: [2-carboxyoxy-6-(6-methylheptoxycarbonyloxy)cyclohexyl] 6-methylheptyl carbonate CAS Name: carbonic acid [2-carboxyoxy-6-[6-methylheptoxy(oxo)methoxy]cyclohexyl] 6-methylheptyl ester IUPAC Name: [2-carboxyoxy-6-(6-methylheptoxycarbonyloxy)cyclohexyl] 6-methylheptyl carbonate Traditional Name: carbonic acid [2-carboxyoxy-6-(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)OC1CCCC(C1OC(=O)OCCCCCC(C)C)OC(=O)O

Isomeric SMILES

CC(C)CCCCCOC(=O)OC1CCCC(C1OC(=O)OCCCCCC(C)C)OC(=O)O

InChI

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