5-[(5-chloranylthiophen-2-yl)methylsulfonyl]-2,4-dimethyl-benzoic acid

Systemtic Name: 5-[(5-chloranylthiophen-2-yl)methylsulfonyl]-2,4-dimethyl-benzoic acid Openeye Name: 5-[(5-chloro-2-thienyl)methylsulfonyl]-2,4-dimethyl-benzoic acid CAS Name: 5-[(5-chloro-2-thiophenyl)methylsulfonyl]-2,4-dimethylbenzoic acid IUPAC Name: 5-[(5-chlorothiophen-2-yl)methylsulfonyl]-2,4-dimethylbenzoic acid Traditional Name: 5-[(5-chloro-2-thienyl)methylsulfonyl]-2,4-dimethyl-benzoic acid Formula: C14H13ClO4S2 MolecularWeight: 344.83362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)O)S(=O)(=O)CC2=CC=C(S2)Cl)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)O)S(=O)(=O)CC2=CC=C(S2)Cl)C

InChI

InChI=1S/C14H13ClO4S2/c1-8-5-9(2)12(6-11(8)14(16)17)21(18,19)7-10-3-4-13(15)20-10/h3-6H,7H2,1-2H3,(H,16,17)