4,6-bis(chloranyl)-3-(3-oxidanyl-3-oxidanylidene-2-phenyl-propyl)-1H-indole-2-carboxylic acid

Systemtic Name: 4,6-bis(chloranyl)-3-(3-oxidanyl-3-oxidanylidene-2-phenyl-propyl)-1H-indole-2-carboxylic acid Openeye Name: 4,6-dichloro-3-(3-hydroxy-3-oxo-2-phenyl-propyl)-1H-indole-2-carboxylic acid CAS Name: 4,6-dichloro-3-(3-hydroxy-3-oxo-2-phenylpropyl)-1H-indole-2-carboxylic acid IUPAC Name: 4,6-dichloro-3-(3-hydroxy-3-oxo-2-phenylpropyl)-1H-indole-2-carboxylic acid Traditional Name: 4,6-dichloro-3-(3-hydroxy-3-keto-2-phenyl-propyl)-1H-indole-2-carboxylic acid Formula: C18H13Cl2NO4 MolecularWeight: 378.20612

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC2=C(NC3=CC(=CC(=C32)Cl)Cl)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(CC2=C(NC3=CC(=CC(=C32)Cl)Cl)C(=O)O)C(=O)O

InChI

InChI=1S/C18H13Cl2NO4/c19-10-6-13(20)15-12(16(18(24)25)21-14(15)7-10)8-11(17(22)23)9-4-2-1-3-5-9/h1-7,11,21H,8H2,(H,22,23)(H,24,25)