2-[2-(6-iodanylhexyl)-2-methyl-4-oxidanylidene-8-propyl-3H-chromen-7-yl]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[2-(6-iodanylhexyl)-2-methyl-4-oxidanylidene-8-propyl-3H-chromen-7-yl]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[2-(6-iodohexyl)-2-methyl-4-oxo-8-propyl-chroman-7-yl]-2-oxo-acetic acid CAS Name: 2-[2-(6-iodohexyl)-2-methyl-4-oxo-8-propyl-3,4-dihydro-2H-1-benzopyran-7-yl]-2-oxoacetic acid IUPAC Name: 2-[2-(6-iodohexyl)-2-methyl-4-oxo-8-propyl-3H-chromen-7-yl]-2-oxoacetic acid Traditional Name: 2-[2-(6-iodohexyl)-4-keto-2-methyl-8-propyl-chroman-7-yl]-2-keto-acetic acid Formula: C21H27IO5 MolecularWeight: 486.34055

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27IO5/c1-3-8-15-14(18(24)20(25)26)9-10-16-17(23)13-21(2,27-19(15)16)11-6-4-5-7-12-22/h9-10H,3-8,11-13H2,1-2H3,(H,25,26)