4-[2-fluoranyl-5-(4-fluoranylphenoxy)phenyl]-1-phosphono-butane-1-sulfonic acid

Systemtic Name: 4-[2-fluoranyl-5-(4-fluoranylphenoxy)phenyl]-1-phosphono-butane-1-sulfonic acid Openeye Name: 4-[2-fluoro-5-(4-fluorophenoxy)phenyl]-1-phosphono-butane-1-sulfonic acid CAS Name: 4-[2-fluoro-5-(4-fluorophenoxy)phenyl]-1-phosphono-1-butanesulfonic acid IUPAC Name: 4-[2-fluoro-5-(4-fluorophenoxy)phenyl]-1-phosphonobutane-1-sulfonic acid Traditional Name: 4-[2-fluoro-5-(4-fluorophenoxy)phenyl]-1-phosphono-butane-1-sulfonic acid Formula: C16H17F2O7PS MolecularWeight: 422.337547

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OC2=CC(=C(C=C2)F)CCCC(P(=O)(O)O)S(=O)(=O)O)F

Isomeric SMILES

C1=CC(=CC=C1OC2=CC(=C(C=C2)F)CCCC(P(=O)(O)O)S(=O)(=O)O)F

InChI

InChI=1S/C16H17F2O7PS/c17-12-4-6-13(7-5-12)25-14-8-9-15(18)11(10-14)2-1-3-16(26(19,20)21)27(22,23)24/h4-10,16H,1-3H2,(H2,19,20,21)(H,22,23,24)