1-butyl-4-cyclohexyl-cyclohexane; [4-ethoxy-2,3-bis(fluoranyl)phenyl] hydrogen carbonate

Systemtic Name: 1-butyl-4-cyclohexyl-cyclohexane; [4-ethoxy-2,3-bis(fluoranyl)phenyl] hydrogen carbonate Openeye Name: 1-butyl-4-cyclohexyl-cyclohexane; (4-ethoxy-2,3-difluoro-phenyl) hydrogen carbonate CAS Name: 1-butyl-4-cyclohexylcyclohexane; carbonic acid (4-ethoxy-2,3-difluorophenyl) ester IUPAC Name: 1-butyl-4-cyclohexylcyclohexane; (4-ethoxy-2,3-difluorophenyl) hydrogen carbonate Traditional Name: 1-butyl-4-cyclohexyl-cyclohexane; carbonic acid (4-ethoxy-2,3-difluoro-phenyl) ester Formula: C25H38F2O4 MolecularWeight: 440.563626

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(CC1)C2CCCCC2.CCOC1=C(C(=C(C=C1)OC(=O)O)F)F

Isomeric SMILES

CCCCC1CCC(CC1)C2CCCCC2.CCOC1=C(C(=C(C=C1)OC(=O)O)F)F

InChI

InChI=1S/C16H30.C9H8F2O4/c1-2-3-7-14-10-12-16(13-11-14)15-8-5-4-6-9-15;1-2-14-5-3-4-6(15-9(12)13)8(11)7(5)10/h14-16H,2-13H2,1H3;3-4H,2H2,1H3,(H,12,13)