5-(cyclopropylmethylsulfonyl)-2,4-dimethyl-benzoic acid

Systemtic Name: 5-(cyclopropylmethylsulfonyl)-2,4-dimethyl-benzoic acid Openeye Name: 5-(cyclopropylmethylsulfonyl)-2,4-dimethyl-benzoic acid CAS Name: 5-(cyclopropylmethylsulfonyl)-2,4-dimethylbenzoic acid IUPAC Name: 5-(cyclopropylmethylsulfonyl)-2,4-dimethylbenzoic acid Traditional Name: 5-(cyclopropylmethylsulfonyl)-2,4-dimethyl-benzoic acid Formula: C13H16O4S MolecularWeight: 268.32874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)O)S(=O)(=O)CC2CC2)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)O)S(=O)(=O)CC2CC2)C

InChI

InChI=1S/C13H16O4S/c1-8-5-9(2)12(6-11(8)13(14)15)18(16,17)7-10-3-4-10/h5-6,10H,3-4,7H2,1-2H3,(H,14,15)