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

Systemtic Name: 4-[(4-fluoranyl-2-methyl-phenyl)methoxy]-2,2,3-trimethyl-4-(phenylsulfonyl)oxane-3-carboxylic acid Openeye Name: 4-(benzenesulfonyl)-4-[(4-fluoro-2-methyl-phenyl)methoxy]-2,2,3-trimethyl-tetrahydropyran-3-carboxylic acid CAS Name: 4-(benzenesulfonyl)-4-[(4-fluoro-2-methylphenyl)methoxy]-2,2,3-trimethyl-3-oxanecarboxylic acid IUPAC Name: 4-(benzenesulfonyl)-4-[(4-fluoro-2-methylphenyl)methoxy]-2,2,3-trimethyloxane-3-carboxylic acid Traditional Name: 4-besyl-4-(4-fluoro-2-methyl-benzyl)oxy-2,2,3-trimethyl-tetrahydropyran-3-carboxylic acid Formula: C23H27FO6S MolecularWeight: 450.520283

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)F)COC2(CCOC(C2(C)C(=O)O)(C)C)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)F)COC2(CCOC(C2(C)C(=O)O)(C)C)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H27FO6S/c1-16-14-18(24)11-10-17(16)15-30-23(31(27,28)19-8-6-5-7-9-19)12-13-29-21(2,3)22(23,4)20(25)26/h5-11,14H,12-13,15H2,1-4H3,(H,25,26)