4-(4-iodanyl-1-oxidanylidene-isochromen-3-yl)butanoic acid

Systemtic Name: 4-(4-iodanyl-1-oxidanylidene-isochromen-3-yl)butanoic acid Openeye Name: 4-(4-iodo-1-oxo-isochromen-3-yl)butanoic acid CAS Name: 4-(4-iodo-1-oxo-2-benzopyran-3-yl)butanoic acid IUPAC Name: 4-(4-iodo-1-oxoisochromen-3-yl)butanoic acid Traditional Name: 4-(4-iodo-1-keto-isochromen-3-yl)butyric acid Formula: C13H11IO4 MolecularWeight: 358.12851

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(OC2=O)CCCC(=O)O)I

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(OC2=O)CCCC(=O)O)I

InChI

InChI=1S/C13H11IO4/c14-12-8-4-1-2-5-9(8)13(17)18-10(12)6-3-7-11(15)16/h1-2,4-5H,3,6-7H2,(H,15,16)