[4-(3-oxidanylidenebutyl)phenyl] 5-bromanylthiophene-2-sulfonate

Systemtic Name: [4-(3-oxidanylidenebutyl)phenyl] 5-bromanylthiophene-2-sulfonate Openeye Name: [4-(3-oxobutyl)phenyl] 5-bromothiophene-2-sulfonate CAS Name: 5-bromo-2-thiophenesulfonic acid [4-(3-oxobutyl)phenyl] ester IUPAC Name: [4-(3-oxobutyl)phenyl] 5-bromothiophene-2-sulfonate Traditional Name: 5-bromothiophene-2-sulfonic acid [4-(3-ketobutyl)phenyl] ester Formula: C14H13BrO4S2 MolecularWeight: 389.28462

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(S2)Br

Isomeric SMILES

CC(=O)CCC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(S2)Br

InChI

InChI=1S/C14H13BrO4S2/c1-10(16)2-3-11-4-6-12(7-5-11)19-21(17,18)14-9-8-13(15)20-14/h4-9H,2-3H2,1H3