1-[2,5-bis(bromanyl)thiophen-3-yl]-2-octan-2-yloxy-ethanone

Systemtic Name: 1-[2,5-bis(bromanyl)thiophen-3-yl]-2-octan-2-yloxy-ethanone Openeye Name: 1-(2,5-dibromo-3-thienyl)-2-(1-methylheptoxy)ethanone CAS Name: 1-(2,5-dibromo-3-thiophenyl)-2-octan-2-yloxyethanone IUPAC Name: 1-(2,5-dibromothiophen-3-yl)-2-octan-2-yloxyethanone Traditional Name: 1-(2,5-dibromo-3-thienyl)-2-(1-methylheptoxy)ethanone Formula: C14H20Br2O2S MolecularWeight: 412.1804

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OCC(=O)C1=C(SC(=C1)Br)Br

Isomeric SMILES

CCCCCCC(C)OCC(=O)C1=C(SC(=C1)Br)Br

InChI

InChI=1S/C14H20Br2O2S/c1-3-4-5-6-7-10(2)18-9-12(17)11-8-13(15)19-14(11)16/h8,10H,3-7,9H2,1-2H3