ethyl 3-bromanyl-6-nonyl-1,1-bis(oxidanylidene)thieno[3,2-b]thiophene-5-carboxylate

Systemtic Name: ethyl 3-bromanyl-6-nonyl-1,1-bis(oxidanylidene)thieno[3,2-b]thiophene-5-carboxylate Openeye Name: ethyl 3-bromo-6-nonyl-1,1-dioxo-thieno[3,2-b]thiophene-5-carboxylate CAS Name: 3-bromo-6-nonyl-1,1-dioxo-5-thieno[3,2-b]thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-bromo-6-nonyl-1,1-dioxothieno[3,2-b]thiophene-5-carboxylate Traditional Name: 3-bromo-1,1-diketo-6-nonyl-thieno[3,2-b]thiophene-5-carboxylic acid ethyl ester Formula: C18H25BrO4S2 MolecularWeight: 449.4227

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=C(SC2=C1S(=O)(=O)C=C2Br)C(=O)OCC

Isomeric SMILES

CCCCCCCCCC1=C(SC2=C1S(=O)(=O)C=C2Br)C(=O)OCC

InChI

InChI=1S/C18H25BrO4S2/c1-3-5-6-7-8-9-10-11-13-15(18(20)23-4-2)24-16-14(19)12-25(21,22)17(13)16/h12H,3-11H2,1-2H3