4-[(5-fluoranyl-2-methyl-phenyl)methoxy]-3-methoxy-2-(phenylsulfonyl)oxane-3-carboxylic acid

Systemtic Name: 4-[(5-fluoranyl-2-methyl-phenyl)methoxy]-3-methoxy-2-(phenylsulfonyl)oxane-3-carboxylic acid Openeye Name: 2-(benzenesulfonyl)-4-[(5-fluoro-2-methyl-phenyl)methoxy]-3-methoxy-tetrahydropyran-3-carboxylic acid CAS Name: 2-(benzenesulfonyl)-4-[(5-fluoro-2-methylphenyl)methoxy]-3-methoxy-3-oxanecarboxylic acid IUPAC Name: 2-(benzenesulfonyl)-4-[(5-fluoro-2-methylphenyl)methoxy]-3-methoxyoxane-3-carboxylic acid Traditional Name: 2-besyl-4-(5-fluoro-2-methyl-benzyl)oxy-3-methoxy-tetrahydropyran-3-carboxylic acid Formula: C21H23FO7S MolecularWeight: 438.466523

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)F)COC2CCOC(C2(C(=O)O)OC)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)F)COC2CCOC(C2(C(=O)O)OC)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H23FO7S/c1-14-8-9-16(22)12-15(14)13-29-18-10-11-28-20(21(18,27-2)19(23)24)30(25,26)17-6-4-3-5-7-17/h3-9,12,18,20H,10-11,13H2,1-2H3,(H,23,24)