1-fluoranyl-4-(3-phenoxyphenyl)-1-phosphono-butane-1-sulfonic acid

Systemtic Name: 1-fluoranyl-4-(3-phenoxyphenyl)-1-phosphono-butane-1-sulfonic acid Openeye Name: 1-fluoro-4-(3-phenoxyphenyl)-1-phosphono-butane-1-sulfonic acid CAS Name: 1-fluoro-4-(3-phenoxyphenyl)-1-phosphono-1-butanesulfonic acid IUPAC Name: 1-fluoro-4-(3-phenoxyphenyl)-1-phosphonobutane-1-sulfonic acid Traditional Name: 1-fluoro-4-(3-phenoxyphenyl)-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=CC(=C2)CCCC(F)(P(=O)(O)O)S(=O)(=O)O

Isomeric SMILES

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

InChI

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