3-[2-[(4-fluorophenyl)methoxy]phenyl]-3-(4-methoxyphenyl)sulfonyl-propanoic acid

Systemtic Name: 3-[2-[(4-fluorophenyl)methoxy]phenyl]-3-(4-methoxyphenyl)sulfonyl-propanoic acid Openeye Name: 3-[2-[(4-fluorophenyl)methoxy]phenyl]-3-(4-methoxyphenyl)sulfonyl-propanoic acid CAS Name: 3-[2-[(4-fluorophenyl)methoxy]phenyl]-3-(4-methoxyphenyl)sulfonylpropanoic acid IUPAC Name: 3-[2-[(4-fluorophenyl)methoxy]phenyl]-3-(4-methoxyphenyl)sulfonylpropanoic acid Traditional Name: 3-[2-(4-fluorobenzyl)oxyphenyl]-3-(4-methoxyphenyl)sulfonyl-propionic acid Formula: C23H21FO6S MolecularWeight: 444.472643

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)C(CC(=O)O)C2=CC=CC=C2OCC3=CC=C(C=C3)F

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)C(CC(=O)O)C2=CC=CC=C2OCC3=CC=C(C=C3)F

InChI

InChI=1S/C23H21FO6S/c1-29-18-10-12-19(13-11-18)31(27,28)22(14-23(25)26)20-4-2-3-5-21(20)30-15-16-6-8-17(24)9-7-16/h2-13,22H,14-15H2,1H3,(H,25,26)