2-[4-(4,9-diethoxy-6-iodanyl-1-oxidanylidene-3H-benzo[f]isoindol-2-yl)phenyl]ethanoic acid

Systemtic Name: 2-[4-(4,9-diethoxy-6-iodanyl-1-oxidanylidene-3H-benzo[f]isoindol-2-yl)phenyl]ethanoic acid Openeye Name: 2-[4-(4,9-diethoxy-6-iodo-1-oxo-3H-benzo[f]isoindol-2-yl)phenyl]acetic acid CAS Name: 2-[4-(4,9-diethoxy-6-iodo-1-oxo-3H-benzo[f]isoindol-2-yl)phenyl]acetic acid IUPAC Name: 2-[4-(4,9-diethoxy-6-iodo-1-oxo-3H-benzo[f]isoindol-2-yl)phenyl]acetic acid Traditional Name: 2-[4-(4,9-diethoxy-6-iodo-1-keto-3H-benz[f]isoindol-2-yl)phenyl]acetic acid Formula: C24H22INO5 MolecularWeight: 531.33965

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2CN(C(=O)C2=C(C3=C1C=C(C=C3)I)OCC)C4=CC=C(C=C4)CC(=O)O

Isomeric SMILES

CCOC1=C2CN(C(=O)C2=C(C3=C1C=C(C=C3)I)OCC)C4=CC=C(C=C4)CC(=O)O

InChI

InChI=1S/C24H22INO5/c1-3-30-22-18-12-15(25)7-10-17(18)23(31-4-2)21-19(22)13-26(24(21)29)16-8-5-14(6-9-16)11-20(27)28/h5-10,12H,3-4,11,13H2,1-2H3,(H,27,28)