4-[(2-chloranyl-5-iodanyl-phenyl)-oxidanyl-methyl]-3,5-dimethyl-benzoic acid

Systemtic Name: 4-[(2-chloranyl-5-iodanyl-phenyl)-oxidanyl-methyl]-3,5-dimethyl-benzoic acid Openeye Name: 4-[(2-chloro-5-iodo-phenyl)-hydroxy-methyl]-3,5-dimethyl-benzoic acid CAS Name: 4-[(2-chloro-5-iodophenyl)-hydroxymethyl]-3,5-dimethylbenzoic acid IUPAC Name: 4-[(2-chloro-5-iodophenyl)-hydroxymethyl]-3,5-dimethylbenzoic acid Traditional Name: 4-[(2-chloro-5-iodo-phenyl)-hydroxy-methyl]-3,5-dimethyl-benzoic acid Formula: C16H14ClIO3 MolecularWeight: 416.63803

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14ClIO3/c1-8-5-10(16(20)21)6-9(2)14(8)15(19)12-7-11(18)3-4-13(12)17/h3-7,15,19H,1-2H3,(H,20,21)