2-iodyl-5-prop-2-ynyl-benzene-1,3-dicarboxylic acid

Systemtic Name: 2-iodyl-5-prop-2-ynyl-benzene-1,3-dicarboxylic acid Openeye Name: 2-iodyl-5-prop-2-ynyl-benzene-1,3-dicarboxylic acid CAS Name: 2-iodyl-5-prop-2-ynylbenzene-1,3-dicarboxylic acid IUPAC Name: 2-iodyl-5-prop-2-ynylbenzene-1,3-dicarboxylic acid Traditional Name: 2-iodyl-5-propargyl-isophthalic acid Formula: C11H7IO6 MolecularWeight: 362.07415

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Descriptors Computed from Structure

Canonical SMILES:

C#CCC1=CC(=C(C(=C1)C(=O)O)I(=O)=O)C(=O)O

Isomeric SMILES

C#CCC1=CC(=C(C(=C1)C(=O)O)I(=O)=O)C(=O)O

InChI

InChI=1S/C11H7IO6/c1-2-3-6-4-7(10(13)14)9(12(17)18)8(5-6)11(15)16/h1,4-5H,3H2,(H,13,14)(H,15,16)