4-chloranyl-3-(thiophen-2-ylmethylsulfonyl)benzoic acid

Systemtic Name: 4-chloranyl-3-(thiophen-2-ylmethylsulfonyl)benzoic acid Openeye Name: 4-chloro-3-(2-thienylmethylsulfonyl)benzoic acid CAS Name: 4-chloro-3-(thiophen-2-ylmethylsulfonyl)benzoic acid IUPAC Name: 4-chloro-3-(thiophen-2-ylmethylsulfonyl)benzoic acid Traditional Name: 4-chloro-3-(2-thenylsulfonyl)benzoic acid Formula: C12H9ClO4S2 MolecularWeight: 316.78046

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)CS(=O)(=O)C2=C(C=CC(=C2)C(=O)O)Cl

Isomeric SMILES

C1=CSC(=C1)CS(=O)(=O)C2=C(C=CC(=C2)C(=O)O)Cl

InChI

InChI=1S/C12H9ClO4S2/c13-10-4-3-8(12(14)15)6-11(10)19(16,17)7-9-2-1-5-18-9/h1-6H,7H2,(H,14,15)