phenyl 3-(2,3-dimethylphenoxy)-4,4,4-tris(fluoranyl)butane-1-sulfonate

Systemtic Name: phenyl 3-(2,3-dimethylphenoxy)-4,4,4-tris(fluoranyl)butane-1-sulfonate Openeye Name: phenyl 3-(2,3-dimethylphenoxy)-4,4,4-trifluoro-butane-1-sulfonate CAS Name: 3-(2,3-dimethylphenoxy)-4,4,4-trifluoro-1-butanesulfonic acid IUPAC Name: phenyl 3-(2,3-dimethylphenoxy)-4,4,4-trifluorobutane-1-sulfonate Traditional Name: 3-(2,3-dimethylphenoxy)-4,4,4-trifluoro-butane-1-sulfonic acid phenyl ester Formula: C18H19F3O4S MolecularWeight: 388.40127

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)OC(CCS(=O)(=O)OC2=CC=CC=C2)C(F)(F)F)C

Isomeric SMILES

CC1=C(C(=CC=C1)OC(CCS(=O)(=O)OC2=CC=CC=C2)C(F)(F)F)C

InChI

InChI=1S/C18H19F3O4S/c1-13-7-6-10-16(14(13)2)24-17(18(19,20)21)11-12-26(22,23)25-15-8-4-3-5-9-15/h3-10,17H,11-12H2,1-2H3