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

Systemtic Name: 2,4-dimethyl-5-(oxolan-2-ylmethylsulfonyl)benzoic acid Openeye Name: 2,4-dimethyl-5-(tetrahydrofuran-2-ylmethylsulfonyl)benzoic acid CAS Name: 2,4-dimethyl-5-(2-oxolanylmethylsulfonyl)benzoic acid IUPAC Name: 2,4-dimethyl-5-(oxolan-2-ylmethylsulfonyl)benzoic acid Traditional Name: 2,4-dimethyl-5-(tetrahydrofurfurylsulfonyl)benzoic acid Formula: C14H18O5S MolecularWeight: 298.35472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)O)S(=O)(=O)CC2CCCO2)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)O)S(=O)(=O)CC2CCCO2)C

InChI

InChI=1S/C14H18O5S/c1-9-6-10(2)13(7-12(9)14(15)16)20(17,18)8-11-4-3-5-19-11/h6-7,11H,3-5,8H2,1-2H3,(H,15,16)