5-chloranyl-2-methoxy-3-(thiophen-2-ylmethylsulfonyl)benzoic acid

Systemtic Name: 5-chloranyl-2-methoxy-3-(thiophen-2-ylmethylsulfonyl)benzoic acid Openeye Name: 5-chloro-2-methoxy-3-(2-thienylmethylsulfonyl)benzoic acid CAS Name: 5-chloro-2-methoxy-3-(thiophen-2-ylmethylsulfonyl)benzoic acid IUPAC Name: 5-chloro-2-methoxy-3-(thiophen-2-ylmethylsulfonyl)benzoic acid Traditional Name: 5-chloro-2-methoxy-3-(2-thenylsulfonyl)benzoic acid Formula: C13H11ClO5S2 MolecularWeight: 346.80644

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1C(=O)O)Cl)S(=O)(=O)CC2=CC=CS2

Isomeric SMILES

COC1=C(C=C(C=C1C(=O)O)Cl)S(=O)(=O)CC2=CC=CS2

InChI

InChI=1S/C13H11ClO5S2/c1-19-12-10(13(15)16)5-8(14)6-11(12)21(17,18)7-9-3-2-4-20-9/h2-6H,7H2,1H3,(H,15,16)