4-pyridin-1-ium-1-ylbutane-1-sulfonic acid; tris(fluoranyl)methanesulfonate

Systemtic Name: 4-pyridin-1-ium-1-ylbutane-1-sulfonic acid; tris(fluoranyl)methanesulfonate Openeye Name: 4-pyridin-1-ium-1-ylbutane-1-sulfonic acid; trifluoromethanesulfonate CAS Name: 4-(1-pyridin-1-iumyl)-1-butanesulfonic acid; trifluoromethanesulfonate IUPAC Name: 4-pyridin-1-ium-1-ylbutane-1-sulfonic acid; trifluoromethanesulfonate Traditional Name: 4-pyridin-1-ium-1-ylbutane-1-sulfonic acid triflate Formula: C10H14F3NO6S2 MolecularWeight: 365.34647

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)CCCCS(=O)(=O)O.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C1=CC=[N+](C=C1)CCCCS(=O)(=O)O.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C9H13NO3S.CHF3O3S/c11-14(12,13)9-5-4-8-10-6-2-1-3-7-10;2-1(3,4)8(5,6)7/h1-3,6-7H,4-5,8-9H2;(H,5,6,7)