pentyl bis(fluoranyl)-(4-nitrophenyl)methanesulfonate

Systemtic Name: pentyl bis(fluoranyl)-(4-nitrophenyl)methanesulfonate Openeye Name: pentyl difluoro-(4-nitrophenyl)methanesulfonate CAS Name: difluoro-(4-nitrophenyl)methanesulfonic acid pentyl ester IUPAC Name: pentyl difluoro-(4-nitrophenyl)methanesulfonate Traditional Name: difluoro-(4-nitrophenyl)methanesulfonic acid amyl ester Formula: C12H15F2NO5S MolecularWeight: 323.313006

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOS(=O)(=O)C(C1=CC=C(C=C1)[N+](=O)[O-])(F)F

Isomeric SMILES

CCCCCOS(=O)(=O)C(C1=CC=C(C=C1)[N+](=O)[O-])(F)F

InChI

InChI=1S/C12H15F2NO5S/c1-2-3-4-9-20-21(18,19)12(13,14)10-5-7-11(8-6-10)15(16)17/h5-8H,2-4,9H2,1H3