2,3-bis(fluoranyl)-4-octoxy-benzoate; 1-cyclohexyl-1-pentyl-cyclohexane

Systemtic Name: 2,3-bis(fluoranyl)-4-octoxy-benzoate; 1-cyclohexyl-1-pentyl-cyclohexane Openeye Name: 1-cyclohexyl-1-pentyl-cyclohexane; 2,3-difluoro-4-octoxy-benzoate CAS Name: 1-cyclohexyl-1-pentylcyclohexane; 2,3-difluoro-4-octoxybenzoate IUPAC Name: 1-cyclohexyl-1-pentylcyclohexane; 2,3-difluoro-4-octoxybenzoate Traditional Name: 1-amyl-1-cyclohexyl-cyclohexane; 2,3-difluoro-4-octoxy-benzoate Formula: C32H51F2O3- MolecularWeight: 521.742346

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C(=C(C=C1)C(=O)[O-])F)F.CCCCCC1(CCCCC1)C2CCCCC2

Isomeric SMILES

CCCCCCCCOC1=C(C(=C(C=C1)C(=O)[O-])F)F.CCCCCC1(CCCCC1)C2CCCCC2

InChI

InChI=1S/C17H32.C15H20F2O3/c1-2-3-8-13-17(14-9-5-10-15-17)16-11-6-4-7-12-16;1-2-3-4-5-6-7-10-20-12-9-8-11(15(18)19)13(16)14(12)17/h16H,2-15H2,1H3;8-9H,2-7,10H2,1H3,(H,18,19)/p-1