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

Systemtic Name: 3-[(5-chloranylthiophen-2-yl)methylsulfonyl]-4-methyl-benzoic acid Openeye Name: 3-[(5-chloro-2-thienyl)methylsulfonyl]-4-methyl-benzoic acid CAS Name: 3-[(5-chloro-2-thiophenyl)methylsulfonyl]-4-methylbenzoic acid IUPAC Name: 3-[(5-chlorothiophen-2-yl)methylsulfonyl]-4-methylbenzoic acid Traditional Name: 3-[(5-chloro-2-thienyl)methylsulfonyl]-4-methyl-benzoic acid Formula: C13H11ClO4S2 MolecularWeight: 330.80704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)CC2=CC=C(S2)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)CC2=CC=C(S2)Cl

InChI

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