[2,3-bis(fluoranyl)-4-(1-octan-4-ylcyclohexyl)carbonyloxy-phenyl] 1-octan-4-ylcyclohexane-1-carboxylate

Systemtic Name: [2,3-bis(fluoranyl)-4-(1-octan-4-ylcyclohexyl)carbonyloxy-phenyl] 1-octan-4-ylcyclohexane-1-carboxylate Openeye Name: [2,3-difluoro-4-[1-(1-propylpentyl)cyclohexanecarbonyl]oxy-phenyl] 1-(1-propylpentyl)cyclohexanecarboxylate CAS Name: 1-octan-4-yl-1-cyclohexanecarboxylic acid [2,3-difluoro-4-[(1-octan-4-ylcyclohexyl)-oxomethoxy]phenyl] ester IUPAC Name: [2,3-difluoro-4-(1-octan-4-ylcyclohexanecarbonyl)oxyphenyl] 1-octan-4-ylcyclohexane-1-carboxylate Traditional Name: 1-(1-propylpentyl)cyclohexanecarboxylic acid [2,3-difluoro-4-[1-(1-propylpentyl)cyclohexanecarbonyl]oxy-phenyl] ester Formula: C36H56F2O4 MolecularWeight: 590.824246

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCC)C1(CCCCC1)C(=O)OC2=C(C(=C(C=C2)OC(=O)C3(CCCCC3)C(CCC)CCCC)F)F

Isomeric SMILES

CCCCC(CCC)C1(CCCCC1)C(=O)OC2=C(C(=C(C=C2)OC(=O)C3(CCCCC3)C(CCC)CCCC)F)F

InChI

InChI=1S/C36H56F2O4/c1-5-9-19-27(17-7-3)35(23-13-11-14-24-35)33(39)41-29-21-22-30(32(38)31(29)37)42-34(40)36(25-15-12-16-26-36)28(18-8-4)20-10-6-2/h21-22,27-28H,5-20,23-26H2,1-4H3