2,4-dimethyl-5-(thiophen-2-ylmethylsulfonyl)benzoic acid

Systemtic Name: 2,4-dimethyl-5-(thiophen-2-ylmethylsulfonyl)benzoic acid Openeye Name: 2,4-dimethyl-5-(2-thienylmethylsulfonyl)benzoic acid CAS Name: 2,4-dimethyl-5-(thiophen-2-ylmethylsulfonyl)benzoic acid IUPAC Name: 2,4-dimethyl-5-(thiophen-2-ylmethylsulfonyl)benzoic acid Traditional Name: 2,4-dimethyl-5-(2-thenylsulfonyl)benzoic acid Formula: C14H14O4S2 MolecularWeight: 310.38856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)O)S(=O)(=O)CC2=CC=CS2)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)O)S(=O)(=O)CC2=CC=CS2)C

InChI

InChI=1S/C14H14O4S2/c1-9-6-10(2)13(7-12(9)14(15)16)20(17,18)8-11-4-3-5-19-11/h3-7H,8H2,1-2H3,(H,15,16)