2-[1-(4-bromophenyl)-2,5-bis(oxidanylidene)pyrrol-3-yl]sulfanylethanoic acid

Systemtic Name: 2-[1-(4-bromophenyl)-2,5-bis(oxidanylidene)pyrrol-3-yl]sulfanylethanoic acid Openeye Name: 2-[1-(4-bromophenyl)-2,5-dioxo-pyrrol-3-yl]sulfanylacetic acid CAS Name: 2-[[1-(4-bromophenyl)-2,5-dioxo-3-pyrrolyl]thio]acetic acid IUPAC Name: 2-[1-(4-bromophenyl)-2,5-dioxopyrrol-3-yl]sulfanylacetic acid Traditional Name: 2-[[1-(4-bromophenyl)-2,5-diketo-3-pyrrolin-3-yl]thio]acetic acid Formula: C12H8BrNO4S MolecularWeight: 342.16522

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C(=O)C=C(C2=O)SCC(=O)O)Br

Isomeric SMILES

C1=CC(=CC=C1N2C(=O)C=C(C2=O)SCC(=O)O)Br

InChI

InChI=1S/C12H8BrNO4S/c13-7-1-3-8(4-2-7)14-10(15)5-9(12(14)18)19-6-11(16)17/h1-5H,6H2,(H,16,17)