5-(3-iodanylphenyl)-4-(2-methylphenyl)-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-(3-iodanylphenyl)-4-(2-methylphenyl)-5-oxidanylidene-pentanoic acid Openeye Name: 5-(3-iodophenyl)-4-(o-tolyl)-5-oxo-pentanoic acid CAS Name: 5-(3-iodophenyl)-4-(2-methylphenyl)-5-oxopentanoic acid IUPAC Name: 5-(3-iodophenyl)-4-(2-methylphenyl)-5-oxopentanoic acid Traditional Name: 5-(3-iodophenyl)-5-keto-4-(o-tolyl)valeric acid Formula: C18H17IO3 MolecularWeight: 408.23025

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(CCC(=O)O)C(=O)C2=CC(=CC=C2)I

Isomeric SMILES

CC1=CC=CC=C1C(CCC(=O)O)C(=O)C2=CC(=CC=C2)I

InChI

InChI=1S/C18H17IO3/c1-12-5-2-3-8-15(12)16(9-10-17(20)21)18(22)13-6-4-7-14(19)11-13/h2-8,11,16H,9-10H2,1H3,(H,20,21)