2-[2-(6-iodanylhexyl)-4-oxidanylidene-8-propyl-2,3-dihydrochromen-7-yl]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[2-(6-iodanylhexyl)-4-oxidanylidene-8-propyl-2,3-dihydrochromen-7-yl]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[2-(6-iodohexyl)-4-oxo-8-propyl-chroman-7-yl]-2-oxo-acetic acid CAS Name: 2-[2-(6-iodohexyl)-4-oxo-8-propyl-3,4-dihydro-2H-1-benzopyran-7-yl]-2-oxoacetic acid IUPAC Name: 2-[2-(6-iodohexyl)-4-oxo-8-propyl-2,3-dihydrochromen-7-yl]-2-oxoacetic acid Traditional Name: 2-[2-(6-iodohexyl)-4-keto-8-propyl-chroman-7-yl]-2-keto-acetic acid Formula: C20H25IO5 MolecularWeight: 472.31397

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25IO5/c1-2-7-15-14(18(23)20(24)25)9-10-16-17(22)12-13(26-19(15)16)8-5-3-4-6-11-21/h9-10,13H,2-8,11-12H2,1H3,(H,24,25)