4-(thiophen-2-ylmethylsulfonyl)benzoate

Systemtic Name: 4-(thiophen-2-ylmethylsulfonyl)benzoate Openeye Name: 4-(2-thienylmethylsulfonyl)benzoate CAS Name: 4-(thiophen-2-ylmethylsulfonyl)benzoate IUPAC Name: 4-(thiophen-2-ylmethylsulfonyl)benzoate Traditional Name: 4-(2-thenylsulfonyl)benzoate Formula: C12H9O4S2- MolecularWeight: 281.32746

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)CS(=O)(=O)C2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

C1=CSC(=C1)CS(=O)(=O)C2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C12H10O4S2/c13-12(14)9-3-5-11(6-4-9)18(15,16)8-10-2-1-7-17-10/h1-7H,8H2,(H,13,14)/p-1