1-phosphono-4-[3-[2-(trifluoromethyl)phenoxy]phenyl]butane-1-sulfonic acid

Systemtic Name: 1-phosphono-4-[3-[2-(trifluoromethyl)phenoxy]phenyl]butane-1-sulfonic acid Openeye Name: 1-phosphono-4-[3-[2-(trifluoromethyl)phenoxy]phenyl]butane-1-sulfonic acid CAS Name: 1-phosphono-4-[3-[2-(trifluoromethyl)phenoxy]phenyl]-1-butanesulfonic acid IUPAC Name: 1-phosphono-4-[3-[2-(trifluoromethyl)phenoxy]phenyl]butane-1-sulfonic acid Traditional Name: 1-phosphono-4-[3-[2-(trifluoromethyl)phenoxy]phenyl]butane-1-sulfonic acid Formula: C17H18F3O7PS MolecularWeight: 454.354591

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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