2-[2-(4-iodanylbutyl)-2-methyl-4-oxidanylidene-8-propyl-3H-chromen-7-yl]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[2-(4-iodanylbutyl)-2-methyl-4-oxidanylidene-8-propyl-3H-chromen-7-yl]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[2-(4-iodobutyl)-2-methyl-4-oxo-8-propyl-chroman-7-yl]-2-oxo-acetic acid CAS Name: 2-[2-(4-iodobutyl)-2-methyl-4-oxo-8-propyl-3,4-dihydro-2H-1-benzopyran-7-yl]-2-oxoacetic acid IUPAC Name: 2-[2-(4-iodobutyl)-2-methyl-4-oxo-8-propyl-3H-chromen-7-yl]-2-oxoacetic acid Traditional Name: 2-[2-(4-iodobutyl)-4-keto-2-methyl-8-propyl-chroman-7-yl]-2-keto-acetic acid Formula: C19H23IO5 MolecularWeight: 458.28739

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC2=C1OC(CC2=O)(C)CCCCI)C(=O)C(=O)O

Isomeric SMILES

CCCC1=C(C=CC2=C1OC(CC2=O)(C)CCCCI)C(=O)C(=O)O

InChI

InChI=1S/C19H23IO5/c1-3-6-13-12(16(22)18(23)24)7-8-14-15(21)11-19(2,25-17(13)14)9-4-5-10-20/h7-8H,3-6,9-11H2,1-2H3,(H,23,24)