4-[2-(3-fluoranyl-4-methoxy-phenyl)cyclopenten-1-yl]benzenesulfonic acid

Systemtic Name: 4-[2-(3-fluoranyl-4-methoxy-phenyl)cyclopenten-1-yl]benzenesulfonic acid Openeye Name: 4-[2-(3-fluoro-4-methoxy-phenyl)cyclopenten-1-yl]benzenesulfonic acid CAS Name: 4-[2-(3-fluoro-4-methoxyphenyl)-1-cyclopentenyl]benzenesulfonic acid IUPAC Name: 4-[2-(3-fluoro-4-methoxyphenyl)cyclopenten-1-yl]benzenesulfonic acid Traditional Name: 4-[2-(3-fluoro-4-methoxy-phenyl)cyclopenten-1-yl]besylic acid Formula: C18H17FO4S MolecularWeight: 348.388583

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(CCC2)C3=CC=C(C=C3)S(=O)(=O)O)F

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(CCC2)C3=CC=C(C=C3)S(=O)(=O)O)F

InChI

InChI=1S/C18H17FO4S/c1-23-18-10-7-13(11-17(18)19)16-4-2-3-15(16)12-5-8-14(9-6-12)24(20,21)22/h5-11H,2-4H2,1H3,(H,20,21,22)