ethyl 3,4-bis(methylsulfonyloxy)-5-(phenylcarbonyl)thiophene-2-carboxylate

Systemtic Name: ethyl 3,4-bis(methylsulfonyloxy)-5-(phenylcarbonyl)thiophene-2-carboxylate Openeye Name: ethyl 5-benzoyl-3,4-bis(methylsulfonyloxy)thiophene-2-carboxylate CAS Name: 5-benzoyl-3,4-bis(methylsulfonyloxy)-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzoyl-3,4-bis(methylsulfonyloxy)thiophene-2-carboxylate Traditional Name: 5-benzoyl-3,4-bis(methylsulfonyloxy)thiophene-2-carboxylic acid ethyl ester Formula: C16H16O9S3 MolecularWeight: 448.48784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)C(=O)C2=CC=CC=C2)OS(=O)(=O)C)OS(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)C(=O)C2=CC=CC=C2)OS(=O)(=O)C)OS(=O)(=O)C

InChI

InChI=1S/C16H16O9S3/c1-4-23-16(18)15-13(25-28(3,21)22)12(24-27(2,19)20)14(26-15)11(17)10-8-6-5-7-9-10/h5-9H,4H2,1-3H3