3-[(5-chloranylthiophen-2-yl)methylsulfonyl]-4-methoxy-benzoic acid

Systemtic Name: 3-[(5-chloranylthiophen-2-yl)methylsulfonyl]-4-methoxy-benzoic acid Openeye Name: 3-[(5-chloro-2-thienyl)methylsulfonyl]-4-methoxy-benzoic acid CAS Name: 3-[(5-chloro-2-thiophenyl)methylsulfonyl]-4-methoxybenzoic acid IUPAC Name: 3-[(5-chlorothiophen-2-yl)methylsulfonyl]-4-methoxybenzoic acid Traditional Name: 3-[(5-chloro-2-thienyl)methylsulfonyl]-4-methoxy-benzoic acid Formula: C13H11ClO5S2 MolecularWeight: 346.80644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)CC2=CC=C(S2)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)CC2=CC=C(S2)Cl

InChI

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