3,5-dimethyl-4-(6-oxidanyl-6-oxidanylidene-hexyl)-1H-pyrrole-2-carboxylic acid

Systemtic Name: 3,5-dimethyl-4-(6-oxidanyl-6-oxidanylidene-hexyl)-1H-pyrrole-2-carboxylic acid Openeye Name: 4-(6-hydroxy-6-oxo-hexyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid CAS Name: 4-(6-hydroxy-6-oxohexyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid IUPAC Name: 4-(6-hydroxy-6-oxohexyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid Traditional Name: 4-(6-hydroxy-6-keto-hexyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid Formula: C13H19NO4 MolecularWeight: 253.29426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1CCCCCC(=O)O)C)C(=O)O

Isomeric SMILES

CC1=C(NC(=C1CCCCCC(=O)O)C)C(=O)O

InChI

InChI=1S/C13H19NO4/c1-8-10(6-4-3-5-7-11(15)16)9(2)14-12(8)13(17)18/h14H,3-7H2,1-2H3,(H,15,16)(H,17,18)