3-[2,6-bis(fluoranyl)-4-(4-pentylphenyl)phenyl]propanedithioic acid

Systemtic Name: 3-[2,6-bis(fluoranyl)-4-(4-pentylphenyl)phenyl]propanedithioic acid Openeye Name: 3-[2,6-difluoro-4-(4-pentylphenyl)phenyl]propanedithioic acid CAS Name: 3-[2,6-difluoro-4-(4-pentylphenyl)phenyl]propanedithioic acid IUPAC Name: 3-[2,6-difluoro-4-(4-pentylphenyl)phenyl]propanedithioic acid Traditional Name: 3-[4-(4-amylphenyl)-2,6-difluoro-phenyl]propanedithioic acid Formula: C20H22F2S2 MolecularWeight: 364.515486

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C2=CC(=C(C(=C2)F)CCC(=S)S)F

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C2=CC(=C(C(=C2)F)CCC(=S)S)F

InChI

InChI=1S/C20H22F2S2/c1-2-3-4-5-14-6-8-15(9-7-14)16-12-18(21)17(19(22)13-16)10-11-20(23)24/h6-9,12-13H,2-5,10-11H2,1H3,(H,23,24)