1-[[3-fluoranyl-4-(trifluoromethyl)phenyl]methyl]-3-iodanyl-5-oxidanyl-indole-2-carboxylic acid

Systemtic Name: 1-[[3-fluoranyl-4-(trifluoromethyl)phenyl]methyl]-3-iodanyl-5-oxidanyl-indole-2-carboxylic acid Openeye Name: 1-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-5-hydroxy-3-iodo-indole-2-carboxylic acid CAS Name: 1-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-5-hydroxy-3-iodo-2-indolecarboxylic acid IUPAC Name: 1-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-5-hydroxy-3-iodoindole-2-carboxylic acid Traditional Name: 1-[3-fluoro-4-(trifluoromethyl)benzyl]-5-hydroxy-3-iodo-indole-2-carboxylic acid Formula: C17H10F4INO3 MolecularWeight: 479.164283

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CN2C3=C(C=C(C=C3)O)C(=C2C(=O)O)I)F)C(F)(F)F

Isomeric SMILES

C1=CC(=C(C=C1CN2C3=C(C=C(C=C3)O)C(=C2C(=O)O)I)F)C(F)(F)F

InChI

InChI=1S/C17H10F4INO3/c18-12-5-8(1-3-11(12)17(19,20)21)7-23-13-4-2-9(24)6-10(13)14(22)15(23)16(25)26/h1-6,24H,7H2,(H,25,26)