2-azanyl-4,4,4-tris(fluoranyl)-3-phenyl-butane-1-sulfonic acid

Systemtic Name: 2-azanyl-4,4,4-tris(fluoranyl)-3-phenyl-butane-1-sulfonic acid Openeye Name: 2-amino-4,4,4-trifluoro-3-phenyl-butane-1-sulfonic acid CAS Name: 2-amino-4,4,4-trifluoro-3-phenyl-1-butanesulfonic acid IUPAC Name: 2-amino-4,4,4-trifluoro-3-phenylbutane-1-sulfonic acid Traditional Name: 2-amino-4,4,4-trifluoro-3-phenyl-butane-1-sulfonic acid Formula: C10H12F3NO3S MolecularWeight: 283.26739

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(CS(=O)(=O)O)N)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)C(C(CS(=O)(=O)O)N)C(F)(F)F

InChI

InChI=1S/C10H12F3NO3S/c11-10(12,13)9(7-4-2-1-3-5-7)8(14)6-18(15,16)17/h1-5,8-9H,6,14H2,(H,15,16,17)