[2-carboxyoxy-4,5-bis(5-methylhexoxycarbonyloxy)cyclohexyl] 5-methylhexyl carbonate

Systemtic Name: [2-carboxyoxy-4,5-bis(5-methylhexoxycarbonyloxy)cyclohexyl] 5-methylhexyl carbonate Openeye Name: [2-carboxyoxy-4,5-bis(5-methylhexoxycarbonyloxy)cyclohexyl] 5-methylhexyl carbonate CAS Name: carbonic acid [2-carboxyoxy-4,5-bis[5-methylhexoxy(oxo)methoxy]cyclohexyl] 5-methylhexyl ester IUPAC Name: [2-carboxyoxy-4,5-bis(5-methylhexoxycarbonyloxy)cyclohexyl] 5-methylhexyl carbonate Traditional Name: carbonic acid [2-carboxyoxy-4,5-bis(5-methylhexoxycarbonyloxy)cyclohexyl] 5-methylhexyl ester Formula: C31H54O12 MolecularWeight: 618.75326

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCOC(=O)OC1CC(C(CC1OC(=O)OCCCCC(C)C)OC(=O)OCCCCC(C)C)OC(=O)O

Isomeric SMILES

CC(C)CCCCOC(=O)OC1CC(C(CC1OC(=O)OCCCCC(C)C)OC(=O)OCCCCC(C)C)OC(=O)O

InChI

InChI=1S/C31H54O12/c1-21(2)13-7-10-16-37-29(34)41-25-20-27(43-31(36)39-18-12-9-15-23(5)6)26(19-24(25)40-28(32)33)42-30(35)38-17-11-8-14-22(3)4/h21-27H,7-20H2,1-6H3,(H,32,33)