7-iodanyl-8-[(E)-3-phenylprop-2-enoyl]oxy-quinoline-5-sulfonic acid

Systemtic Name: 7-iodanyl-8-[(E)-3-phenylprop-2-enoyl]oxy-quinoline-5-sulfonic acid Openeye Name: 7-iodo-8-[(E)-3-phenylprop-2-enoyl]oxy-quinoline-5-sulfonic acid CAS Name: 7-iodo-8-[(E)-1-oxo-3-phenylprop-2-enoxy]-5-quinolinesulfonic acid IUPAC Name: 7-iodo-8-[(E)-3-phenylprop-2-enoyl]oxyquinoline-5-sulfonic acid Traditional Name: 7-iodo-8-[(E)-3-phenylacryloyl]oxy-quinoline-5-sulfonic acid Formula: C18H12INO5S MolecularWeight: 481.26105

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CC(=O)OC2=C(C=C(C3=C2N=CC=C3)S(=O)(=O)O)I

Isomeric SMILES

C1=CC=C(C=C1)/C=C/C(=O)OC2=C(C=C(C3=C2N=CC=C3)S(=O)(=O)O)I

InChI

InChI=1S/C18H12INO5S/c19-14-11-15(26(22,23)24)13-7-4-10-20-17(13)18(14)25-16(21)9-8-12-5-2-1-3-6-12/h1-11H,(H,22,23,24)/b9-8+