[2,3,4,5,6-pentakis(7-methyloctanoyloxy)cyclohexyl] 7-methyloctanoate

Systemtic Name: [2,3,4,5,6-pentakis(7-methyloctanoyloxy)cyclohexyl] 7-methyloctanoate Openeye Name: [2,3,4,5,6-pentakis(7-methyloctanoyloxy)cyclohexyl] 7-methyloctanoate CAS Name: 7-methyloctanoic acid [2,3,4,5,6-pentakis(7-methyl-1-oxooctoxy)cyclohexyl] ester IUPAC Name: [2,3,4,5,6-pentakis(7-methyloctanoyloxy)cyclohexyl] 7-methyloctanoate Traditional Name: 7-methylcaprylic acid [2,3,4,5,6-pentakis(7-methyloctanoyloxy)cyclohexyl] ester Formula: C60H108O12 MolecularWeight: 1021.49232

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCC(=O)OC1C(C(C(C(C1OC(=O)CCCCCC(C)C)OC(=O)CCCCCC(C)C)OC(=O)CCCCCC(C)C)OC(=O)CCCCCC(C)C)OC(=O)CCCCCC(C)C

Isomeric SMILES

CC(C)CCCCCC(=O)OC1C(C(C(C(C1OC(=O)CCCCCC(C)C)OC(=O)CCCCCC(C)C)OC(=O)CCCCCC(C)C)OC(=O)CCCCCC(C)C)OC(=O)CCCCCC(C)C

InChI

InChI=1S/C60H108O12/c1-43(2)31-19-13-25-37-49(61)67-55-56(68-50(62)38-26-14-20-32-44(3)4)58(70-52(64)40-28-16-22-34-46(7)8)60(72-54(66)42-30-18-24-36-48(11)12)59(71-53(65)41-29-17-23-35-47(9)10)57(55)69-51(63)39-27-15-21-33-45(5)6/h43-48,55-60H,13-42H2,1-12H3