3-(1-oxidanyl-1-oxidanylidene-butan-2-yl)-1H-indole-2-carboxylic acid

Systemtic Name: 3-(1-oxidanyl-1-oxidanylidene-butan-2-yl)-1H-indole-2-carboxylic acid Openeye Name: 3-(1-carboxypropyl)-1H-indole-2-carboxylic acid CAS Name: 3-(1-hydroxy-1-oxobutan-2-yl)-1H-indole-2-carboxylic acid IUPAC Name: 3-(1-hydroxy-1-oxobutan-2-yl)-1H-indole-2-carboxylic acid Traditional Name: 3-(1-carboxypropyl)-1H-indole-2-carboxylic acid Formula: C13H13NO4 MolecularWeight: 247.24662

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=C(NC2=CC=CC=C21)C(=O)O)C(=O)O

Isomeric SMILES

CCC(C1=C(NC2=CC=CC=C21)C(=O)O)C(=O)O

InChI

InChI=1S/C13H13NO4/c1-2-7(12(15)16)10-8-5-3-4-6-9(8)14-11(10)13(17)18/h3-7,14H,2H2,1H3,(H,15,16)(H,17,18)