1,1-bis(fluoranyl)-3-hept-6-ynyl-4-octyl-cyclopentane; 4-methylbenzenesulfonate

Systemtic Name: 1,1-bis(fluoranyl)-3-hept-6-ynyl-4-octyl-cyclopentane; 4-methylbenzenesulfonate Openeye Name: 1,1-difluoro-3-hept-6-ynyl-4-octyl-cyclopentane; 4-methylbenzenesulfonate CAS Name: 1,1-difluoro-3-hept-6-ynyl-4-octylcyclopentane; 4-methylbenzenesulfonate IUPAC Name: 1,1-difluoro-3-hept-6-ynyl-4-octylcyclopentane; 4-methylbenzenesulfonate Traditional Name: 1,1-difluoro-3-hept-6-ynyl-4-octyl-cyclopentane tosylate Formula: C27H41F2O3S- MolecularWeight: 483.674446

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1CC(CC1CCCCCC#C)(F)F.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCC1CC(CC1CCCCCC#C)(F)F.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C20H34F2.C7H8O3S/c1-3-5-7-9-11-13-15-19-17-20(21,22)16-18(19)14-12-10-8-6-4-2;1-6-2-4-7(5-3-6)11(8,9)10/h2,18-19H,3,5-17H2,1H3;2-5H,1H3,(H,8,9,10)/p-1