phenyl 3-(2-fluoranyl-4-nitro-phenyl)-4-oxidanyl-butane-1-sulfonate

Systemtic Name: phenyl 3-(2-fluoranyl-4-nitro-phenyl)-4-oxidanyl-butane-1-sulfonate Openeye Name: phenyl 3-(2-fluoro-4-nitro-phenyl)-4-hydroxy-butane-1-sulfonate CAS Name: 3-(2-fluoro-4-nitrophenyl)-4-hydroxy-1-butanesulfonic acid IUPAC Name: phenyl 3-(2-fluoro-4-nitrophenyl)-4-hydroxybutane-1-sulfonate Traditional Name: 3-(2-fluoro-4-nitro-phenyl)-4-hydroxy-butane-1-sulfonic acid phenyl ester Formula: C16H16FNO6S MolecularWeight: 369.364743

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OS(=O)(=O)CCC(CO)C2=C(C=C(C=C2)[N+](=O)[O-])F

Isomeric SMILES

C1=CC=C(C=C1)OS(=O)(=O)CCC(CO)C2=C(C=C(C=C2)[N+](=O)[O-])F

InChI

InChI=1S/C16H16FNO6S/c17-16-10-13(18(20)21)6-7-15(16)12(11-19)8-9-25(22,23)24-14-4-2-1-3-5-14/h1-7,10,12,19H,8-9,11H2