7-iodanyl-4-oxidanylidene-1-(2,4,4-trimethylpentan-2-yl)quinoline-3-carboxylate

Systemtic Name: 7-iodanyl-4-oxidanylidene-1-(2,4,4-trimethylpentan-2-yl)quinoline-3-carboxylate Openeye Name: 7-iodo-4-oxo-1-(1,1,3,3-tetramethylbutyl)quinoline-3-carboxylate CAS Name: 7-iodo-4-oxo-1-(2,4,4-trimethylpentan-2-yl)-3-quinolinecarboxylate IUPAC Name: 7-iodo-4-oxo-1-(2,4,4-trimethylpentan-2-yl)quinoline-3-carboxylate Traditional Name: 7-iodo-4-keto-1-(1,1,3,3-tetramethylbutyl)quinoline-3-carboxylate Formula: C18H21INO3- MolecularWeight: 426.26871

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C)(C)N1C=C(C(=O)C2=C1C=C(C=C2)I)C(=O)[O-]

Isomeric SMILES

CC(C)(C)CC(C)(C)N1C=C(C(=O)C2=C1C=C(C=C2)I)C(=O)[O-]

InChI

InChI=1S/C18H22INO3/c1-17(2,3)10-18(4,5)20-9-13(16(22)23)15(21)12-7-6-11(19)8-14(12)20/h6-9H,10H2,1-5H3,(H,22,23)/p-1