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

Systemtic Name: 2-[2-(4-iodanylbutyl)-4-oxidanylidene-8-propyl-2,3-dihydrochromen-7-yl]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[2-(4-iodobutyl)-4-oxo-8-propyl-chroman-7-yl]-2-oxo-acetic acid CAS Name: 2-[2-(4-iodobutyl)-4-oxo-8-propyl-3,4-dihydro-2H-1-benzopyran-7-yl]-2-oxoacetic acid IUPAC Name: 2-[2-(4-iodobutyl)-4-oxo-8-propyl-2,3-dihydrochromen-7-yl]-2-oxoacetic acid Traditional Name: 2-[2-(4-iodobutyl)-4-keto-8-propyl-chroman-7-yl]-2-keto-acetic acid Formula: C18H21IO5 MolecularWeight: 444.26081

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21IO5/c1-2-5-13-12(16(21)18(22)23)7-8-14-15(20)10-11(24-17(13)14)6-3-4-9-19/h7-8,11H,2-6,9-10H2,1H3,(H,22,23)