6-[(4-fluorophenyl)-(oxan-2-yloxy)methyl]-4-oxidanylidene-5-phenylmethoxy-pyran-2-carboxylic acid

Systemtic Name: 6-[(4-fluorophenyl)-(oxan-2-yloxy)methyl]-4-oxidanylidene-5-phenylmethoxy-pyran-2-carboxylic acid Openeye Name: 5-benzyloxy-6-[(4-fluorophenyl)-tetrahydropyran-2-yloxy-methyl]-4-oxo-pyran-2-carboxylic acid CAS Name: 6-[(4-fluorophenyl)-(2-oxanyloxy)methyl]-4-oxo-5-phenylmethoxy-2-pyrancarboxylic acid IUPAC Name: 6-[(4-fluorophenyl)-(oxan-2-yloxy)methyl]-4-oxo-5-phenylmethoxypyran-2-carboxylic acid Traditional Name: 5-benzoxy-6-[(4-fluorophenyl)-tetrahydropyran-2-yloxy-methyl]-4-keto-pyran-2-carboxylic acid Formula: C25H23FO7 MolecularWeight: 454.444323

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)OC(C2=CC=C(C=C2)F)C3=C(C(=O)C=C(O3)C(=O)O)OCC4=CC=CC=C4

Isomeric SMILES

C1CCOC(C1)OC(C2=CC=C(C=C2)F)C3=C(C(=O)C=C(O3)C(=O)O)OCC4=CC=CC=C4

InChI

InChI=1S/C25H23FO7/c26-18-11-9-17(10-12-18)22(33-21-8-4-5-13-30-21)24-23(19(27)14-20(32-24)25(28)29)31-15-16-6-2-1-3-7-16/h1-3,6-7,9-12,14,21-22H,4-5,8,13,15H2,(H,28,29)