6-[(3-iodanylphenyl)methoxy]-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylic acid

Systemtic Name: 6-[(3-iodanylphenyl)methoxy]-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylic acid Openeye Name: 6-[(3-iodophenyl)methoxy]-2,5,7,8-tetramethyl-chromane-2-carboxylic acid CAS Name: 6-[(3-iodophenyl)methoxy]-2,5,7,8-tetramethyl-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid IUPAC Name: 6-[(3-iodophenyl)methoxy]-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylic acid Traditional Name: 6-(3-iodobenzyl)oxy-2,5,7,8-tetramethyl-chroman-2-carboxylic acid Formula: C21H23IO4 MolecularWeight: 466.30939

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C(=C1C)OCC3=CC(=CC=C3)I)C)CCC(O2)(C)C(=O)O

Isomeric SMILES

CC1=C2C(=C(C(=C1C)OCC3=CC(=CC=C3)I)C)CCC(O2)(C)C(=O)O

InChI

InChI=1S/C21H23IO4/c1-12-13(2)19-17(8-9-21(4,26-19)20(23)24)14(3)18(12)25-11-15-6-5-7-16(22)10-15/h5-7,10H,8-9,11H2,1-4H3,(H,23,24)