dodecyl 4-(5-bromanylthiophen-2-yl)-4-oxidanylidene-butanoate

Systemtic Name: dodecyl 4-(5-bromanylthiophen-2-yl)-4-oxidanylidene-butanoate Openeye Name: dodecyl 4-(5-bromo-2-thienyl)-4-oxo-butanoate CAS Name: 4-(5-bromo-2-thiophenyl)-4-oxobutanoic acid dodecyl ester IUPAC Name: dodecyl 4-(5-bromothiophen-2-yl)-4-oxobutanoate Traditional Name: 4-(5-bromo-2-thienyl)-4-keto-butyric acid lauryl ester Formula: C20H31BrO3S MolecularWeight: 431.42734

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)CCC(=O)C1=CC=C(S1)Br

Isomeric SMILES

CCCCCCCCCCCCOC(=O)CCC(=O)C1=CC=C(S1)Br

InChI

InChI=1S/C20H31BrO3S/c1-2-3-4-5-6-7-8-9-10-11-16-24-20(23)15-12-17(22)18-13-14-19(21)25-18/h13-14H,2-12,15-16H2,1H3