1-cyclohexyl-4-propyl-cyclohexane; (2-fluoranyl-4-pentyl-phenyl) hydrogen carbonate

Systemtic Name: 1-cyclohexyl-4-propyl-cyclohexane; (2-fluoranyl-4-pentyl-phenyl) hydrogen carbonate Openeye Name: 1-cyclohexyl-4-propyl-cyclohexane; (2-fluoro-4-pentyl-phenyl) hydrogen carbonate CAS Name: carbonic acid (2-fluoro-4-pentylphenyl) ester; 1-cyclohexyl-4-propylcyclohexane IUPAC Name: 1-cyclohexyl-4-propylcyclohexane; (2-fluoro-4-pentylphenyl) hydrogen carbonate Traditional Name: carbonic acid (4-amyl-2-fluoro-phenyl) ester; 1-cyclohexyl-4-propyl-cyclohexane Formula: C27H43FO3 MolecularWeight: 434.626923

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=C(C=C1)OC(=O)O)F.CCCC1CCC(CC1)C2CCCCC2

Isomeric SMILES

CCCCCC1=CC(=C(C=C1)OC(=O)O)F.CCCC1CCC(CC1)C2CCCCC2

InChI

InChI=1S/C15H28.C12H15FO3/c1-2-6-13-9-11-15(12-10-13)14-7-4-3-5-8-14;1-2-3-4-5-9-6-7-11(10(13)8-9)16-12(14)15/h13-15H,2-12H2,1H3;6-8H,2-5H2,1H3,(H,14,15)