5-bromanyl-3-(4-oxidanyl-4-oxidanylidene-butyl)-1H-indole-2-carboxylic acid

Systemtic Name: 5-bromanyl-3-(4-oxidanyl-4-oxidanylidene-butyl)-1H-indole-2-carboxylic acid Openeye Name: 5-bromo-3-(4-hydroxy-4-oxo-butyl)-1H-indole-2-carboxylic acid CAS Name: 5-bromo-3-(4-hydroxy-4-oxobutyl)-1H-indole-2-carboxylic acid IUPAC Name: 5-bromo-3-(4-hydroxy-4-oxobutyl)-1H-indole-2-carboxylic acid Traditional Name: 5-bromo-3-(4-hydroxy-4-keto-butyl)-1H-indole-2-carboxylic acid Formula: C13H12BrNO4 MolecularWeight: 326.14268

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Br)C(=C(N2)C(=O)O)CCCC(=O)O

Isomeric SMILES

C1=CC2=C(C=C1Br)C(=C(N2)C(=O)O)CCCC(=O)O

InChI

InChI=1S/C13H12BrNO4/c14-7-4-5-10-9(6-7)8(2-1-3-11(16)17)12(15-10)13(18)19/h4-6,15H,1-3H2,(H,16,17)(H,18,19)