4-[3-[3,4-bis(fluoranyl)phenoxy]phenyl]-1-phosphono-butane-1-sulfonic acid

Systemtic Name: 4-[3-[3,4-bis(fluoranyl)phenoxy]phenyl]-1-phosphono-butane-1-sulfonic acid Openeye Name: 4-[3-(3,4-difluorophenoxy)phenyl]-1-phosphono-butane-1-sulfonic acid CAS Name: 4-[3-(3,4-difluorophenoxy)phenyl]-1-phosphono-1-butanesulfonic acid IUPAC Name: 4-[3-(3,4-difluorophenoxy)phenyl]-1-phosphonobutane-1-sulfonic acid Traditional Name: 4-[3-(3,4-difluorophenoxy)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(=C1)OC2=CC(=C(C=C2)F)F)CCCC(P(=O)(O)O)S(=O)(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C16H17F2O7PS/c17-14-8-7-13(10-15(14)18)25-12-5-1-3-11(9-12)4-2-6-16(26(19,20)21)27(22,23)24/h1,3,5,7-10,16H,2,4,6H2,(H2,19,20,21)(H,22,23,24)