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

Systemtic Name: 2-[4-(4,9-diethoxy-3-oxidanylidene-1H-benzo[f]isoindol-2-yl)-3-iodanyl-phenyl]ethanoic acid Openeye Name: 2-[4-(4,9-diethoxy-3-oxo-1H-benzo[f]isoindol-2-yl)-3-iodo-phenyl]acetic acid CAS Name: 2-[4-(4,9-diethoxy-3-oxo-1H-benzo[f]isoindol-2-yl)-3-iodophenyl]acetic acid IUPAC Name: 2-[4-(4,9-diethoxy-3-oxo-1H-benzo[f]isoindol-2-yl)-3-iodophenyl]acetic acid Traditional Name: 2-[4-(4,9-diethoxy-3-keto-1H-benz[f]isoindol-2-yl)-3-iodo-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=CC=CC=C31)OCC)C4=C(C=C(C=C4)CC(=O)O)I

Isomeric SMILES

CCOC1=C2CN(C(=O)C2=C(C3=CC=CC=C31)OCC)C4=C(C=C(C=C4)CC(=O)O)I

InChI

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