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

Systemtic Name: 1-phosphono-4-[3-[3-(trifluoromethyl)phenoxy]phenyl]butane-1-sulfonic acid Openeye Name: 1-phosphono-4-[3-[3-(trifluoromethyl)phenoxy]phenyl]butane-1-sulfonic acid CAS Name: 1-phosphono-4-[3-[3-(trifluoromethyl)phenoxy]phenyl]-1-butanesulfonic acid IUPAC Name: 1-phosphono-4-[3-[3-(trifluoromethyl)phenoxy]phenyl]butane-1-sulfonic acid Traditional Name: 1-phosphono-4-[3-[3-(trifluoromethyl)phenoxy]phenyl]butane-1-sulfonic acid Formula: C17H18F3O7PS MolecularWeight: 454.354591

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OC2=CC=CC(=C2)C(F)(F)F)CCCC(P(=O)(O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)OC2=CC=CC(=C2)C(F)(F)F)CCCC(P(=O)(O)O)S(=O)(=O)O

InChI

InChI=1S/C17H18F3O7PS/c18-17(19,20)13-6-3-8-15(11-13)27-14-7-1-4-12(10-14)5-2-9-16(28(21,22)23)29(24,25)26/h1,3-4,6-8,10-11,16H,2,5,9H2,(H2,21,22,23)(H,24,25,26)