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

Systemtic Name: 1-phosphono-4-[3-[4-(trifluoromethyl)phenoxy]phenyl]butane-1-sulfonic acid Openeye Name: 1-phosphono-4-[3-[4-(trifluoromethyl)phenoxy]phenyl]butane-1-sulfonic acid CAS Name: 1-phosphono-4-[3-[4-(trifluoromethyl)phenoxy]phenyl]-1-butanesulfonic acid IUPAC Name: 1-phosphono-4-[3-[4-(trifluoromethyl)phenoxy]phenyl]butane-1-sulfonic acid Traditional Name: 1-phosphono-4-[3-[4-(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=C(C=C2)C(F)(F)F)CCCC(P(=O)(O)O)S(=O)(=O)O

Isomeric SMILES

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

InChI

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