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

Systemtic Name: 4-[4-(2-fluoranylphenoxy)phenyl]-1-phosphono-butane-1-sulfonic acid Openeye Name: 4-[4-(2-fluorophenoxy)phenyl]-1-phosphono-butane-1-sulfonic acid CAS Name: 4-[4-(2-fluorophenoxy)phenyl]-1-phosphono-1-butanesulfonic acid IUPAC Name: 4-[4-(2-fluorophenoxy)phenyl]-1-phosphonobutane-1-sulfonic acid Traditional Name: 4-[4-(2-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=C(C(=C1)OC2=CC=C(C=C2)CCCC(P(=O)(O)O)S(=O)(=O)O)F

Isomeric SMILES

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

InChI

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