methyl 4-[2-(5-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl]benzenesulfonate

Systemtic Name: methyl 4-[2-(5-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl]benzenesulfonate Openeye Name: methyl 4-[2-(5-chloro-2-thienyl)-2-oxo-ethyl]benzenesulfonate CAS Name: 4-[2-(5-chloro-2-thiophenyl)-2-oxoethyl]benzenesulfonic acid methyl ester IUPAC Name: methyl 4-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]benzenesulfonate Traditional Name: 4-[2-(5-chloro-2-thienyl)-2-keto-ethyl]benzenesulfonic acid methyl ester Formula: C13H11ClO4S2 MolecularWeight: 330.80704

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Descriptors Computed from Structure

Canonical SMILES:

COS(=O)(=O)C1=CC=C(C=C1)CC(=O)C2=CC=C(S2)Cl

Isomeric SMILES

COS(=O)(=O)C1=CC=C(C=C1)CC(=O)C2=CC=C(S2)Cl

InChI

InChI=1S/C13H11ClO4S2/c1-18-20(16,17)10-4-2-9(3-5-10)8-11(15)12-6-7-13(14)19-12/h2-7H,8H2,1H3