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

Systemtic Name: 1-[[4-chloranyl-3-(trifluoromethyl)phenyl]methyl]-4-fluoranyl-5-oxidanyl-indole-2-carboxylic acid Openeye Name: 1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-4-fluoro-5-hydroxy-indole-2-carboxylic acid CAS Name: 1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-4-fluoro-5-hydroxy-2-indolecarboxylic acid IUPAC Name: 1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-4-fluoro-5-hydroxyindole-2-carboxylic acid Traditional Name: 1-[4-chloro-3-(trifluoromethyl)benzyl]-4-fluoro-5-hydroxy-indole-2-carboxylic acid Formula: C17H10ClF4NO3 MolecularWeight: 387.712813

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H10ClF4NO3/c18-11-2-1-8(5-10(11)17(20,21)22)7-23-12-3-4-14(24)15(19)9(12)6-13(23)16(25)26/h1-6,24H,7H2,(H,25,26)