4-pyridin-1-ium-1-ylbutane-1-sulfonic acid; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: 4-pyridin-1-ium-1-ylbutane-1-sulfonic acid; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: 4-pyridin-1-ium-1-ylbutane-1-sulfonic acid; 2,2,2-trifluoroacetate CAS Name: 4-(1-pyridin-1-iumyl)-1-butanesulfonic acid; 2,2,2-trifluoroacetate IUPAC Name: 4-pyridin-1-ium-1-ylbutane-1-sulfonic acid; 2,2,2-trifluoroacetate Traditional Name: 4-pyridin-1-ium-1-ylbutane-1-sulfonic acid; 2,2,2-trifluoroacetate Formula: C11H14F3NO5S MolecularWeight: 329.29277

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H13NO3S.C2HF3O2/c11-14(12,13)9-5-4-8-10-6-2-1-3-7-10;3-2(4,5)1(6)7/h1-3,6-7H,4-5,8-9H2;(H,6,7)