3-phenyl-4-[4-(trifluoromethyl)phenyl]butane-1-sulfonic acid

Systemtic Name: 3-phenyl-4-[4-(trifluoromethyl)phenyl]butane-1-sulfonic acid Openeye Name: 3-phenyl-4-[4-(trifluoromethyl)phenyl]butane-1-sulfonic acid CAS Name: 3-phenyl-4-[4-(trifluoromethyl)phenyl]-1-butanesulfonic acid IUPAC Name: 3-phenyl-4-[4-(trifluoromethyl)phenyl]butane-1-sulfonic acid Traditional Name: 3-phenyl-4-[4-(trifluoromethyl)phenyl]butane-1-sulfonic acid Formula: C17H17F3O3S MolecularWeight: 358.37529

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CCS(=O)(=O)O)CC2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)C(CCS(=O)(=O)O)CC2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C17H17F3O3S/c18-17(19,20)16-8-6-13(7-9-16)12-15(10-11-24(21,22)23)14-4-2-1-3-5-14/h1-9,15H,10-12H2,(H,21,22,23)