3-[2,2-bis(fluoranyl)-1,3-benzodioxol-4-yl]propyl benzenesulfonate

Systemtic Name: 3-[2,2-bis(fluoranyl)-1,3-benzodioxol-4-yl]propyl benzenesulfonate Openeye Name: 3-(2,2-difluoro-1,3-benzodioxol-4-yl)propyl benzenesulfonate CAS Name: benzenesulfonic acid 3-(2,2-difluoro-1,3-benzodioxol-4-yl)propyl ester IUPAC Name: 3-(2,2-difluoro-1,3-benzodioxol-4-yl)propyl benzenesulfonate Traditional Name: benzenesulfonic acid 3-(2,2-difluoro-1,3-benzodioxol-4-yl)propyl ester Formula: C16H14F2O5S MolecularWeight: 356.341166

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)OCCCC2=C3C(=CC=C2)OC(O3)(F)F

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)OCCCC2=C3C(=CC=C2)OC(O3)(F)F

InChI

InChI=1S/C16H14F2O5S/c17-16(18)22-14-10-4-6-12(15(14)23-16)7-5-11-21-24(19,20)13-8-2-1-3-9-13/h1-4,6,8-10H,5,7,11H2