6-[3,4-dimethyl-2,5-bis(oxidanylidene)pyrrol-1-yl]hexanoic acid

Systemtic Name: 6-[3,4-dimethyl-2,5-bis(oxidanylidene)pyrrol-1-yl]hexanoic acid Openeye Name: 6-(3,4-dimethyl-2,5-dioxo-pyrrol-1-yl)hexanoic acid CAS Name: 6-(3,4-dimethyl-2,5-dioxo-1-pyrrolyl)hexanoic acid IUPAC Name: 6-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)hexanoic acid Traditional Name: 6-(2,5-diketo-3,4-dimethyl-3-pyrrolin-1-yl)hexanoic acid Formula: C12H17NO4 MolecularWeight: 239.26768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C1=O)CCCCCC(=O)O)C

Isomeric SMILES

CC1=C(C(=O)N(C1=O)CCCCCC(=O)O)C

InChI

InChI=1S/C12H17NO4/c1-8-9(2)12(17)13(11(8)16)7-5-3-4-6-10(14)15/h3-7H2,1-2H3,(H,14,15)