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

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

Systemtic Name:4-[3-(3-fluoranylphenoxy)phenyl]-1-phosphono-butane-1-sulfonic acid
Openeye Name:4-[3-(3-fluorophenoxy)phenyl]-1-phosphono-butane-1-sulfonic acid
CAS Name:4-[3-(3-fluorophenoxy)phenyl]-1-phosphono-1-butanesulfonic acid
IUPAC Name:4-[3-(3-fluorophenoxy)phenyl]-1-phosphonobutane-1-sulfonic acid
Traditional Name:4-[3-(3-fluorophenoxy)phenyl]-1-phosphono-butane-1-sulfonic acid
Formula: C16H18FO7PS
MolecularWeight: 404.347084
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C16H18FO7PS/c17-13-6-3-8-15(11-13)24-14-7-1-4-12(10-14)5-2-9-16(25(18,19)20)26(21,22)23/h1,3-4,6-8,10-11,16H,2,5,9H2,(H2,18,19,20)(H,21,22,23)


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