8-[2,5-bis(oxidanylidene)pyrrol-1-yl]octanoic acid

Systemtic Name: 8-[2,5-bis(oxidanylidene)pyrrol-1-yl]octanoic acid Openeye Name: 8-(2,5-dioxopyrrol-1-yl)octanoic acid CAS Name: 8-(2,5-dioxo-1-pyrrolyl)octanoic acid IUPAC Name: 8-(2,5-dioxopyrrol-1-yl)octanoic acid Traditional Name: 8-(2,5-diketo-3-pyrrolin-1-yl)caprylic acid Formula: C12H17NO4 MolecularWeight: 243.252764

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=O)N(C1=O)CCCCCCCC(=O)O

Isomeric SMILES

[14CH]1=[14CH]C(=O)N(C1=O)CCCCCCCC(=O)O

InChI

InChI=1S/C12H17NO4/c14-10-7-8-11(15)13(10)9-5-3-1-2-4-6-12(16)17/h7-8H,1-6,9H2,(H,16,17)/i7+2,8+2