3-butyl-3-oxidanyl-indole-2,4-dicarboxylic acid

Systemtic Name: 3-butyl-3-oxidanyl-indole-2,4-dicarboxylic acid Openeye Name: 3-butyl-3-hydroxy-indole-2,4-dicarboxylic acid CAS Name: 3-butyl-3-hydroxyindole-2,4-dicarboxylic acid IUPAC Name: 3-butyl-3-hydroxyindole-2,4-dicarboxylic acid Traditional Name: 3-butyl-3-hydroxy-indole-2,4-dicarboxylic acid Formula: C14H15NO5 MolecularWeight: 277.2726

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(C2=C(C=CC=C2N=C1C(=O)O)C(=O)O)O

Isomeric SMILES

CCCCC1(C2=C(C=CC=C2N=C1C(=O)O)C(=O)O)O

InChI

InChI=1S/C14H15NO5/c1-2-3-7-14(20)10-8(12(16)17)5-4-6-9(10)15-11(14)13(18)19/h4-6,20H,2-3,7H2,1H3,(H,16,17)(H,18,19)