8-[3-bromanyl-2,5-bis(oxidanylidene)pyrrol-1-yl]octanoic acid

Systemtic Name: 8-[3-bromanyl-2,5-bis(oxidanylidene)pyrrol-1-yl]octanoic acid Openeye Name: 8-(3-bromo-2,5-dioxo-pyrrol-1-yl)octanoic acid CAS Name: 8-(3-bromo-2,5-dioxo-1-pyrrolyl)octanoic acid IUPAC Name: 8-(3-bromo-2,5-dioxopyrrol-1-yl)octanoic acid Traditional Name: 8-(3-bromo-2,5-diketo-3-pyrrolin-1-yl)caprylic acid Formula: C12H16BrNO4 MolecularWeight: 318.16374

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=O)N(C1=O)CCCCCCCC(=O)O)Br

Isomeric SMILES

C1=C(C(=O)N(C1=O)CCCCCCCC(=O)O)Br

InChI

InChI=1S/C12H16BrNO4/c13-9-8-10(15)14(12(9)18)7-5-3-1-2-4-6-11(16)17/h8H,1-7H2,(H,16,17)