3,4-dimethyl-5-(oxolan-2-ylmethylsulfonyl)benzoic acid

Systemtic Name: 3,4-dimethyl-5-(oxolan-2-ylmethylsulfonyl)benzoic acid Openeye Name: 3,4-dimethyl-5-(tetrahydrofuran-2-ylmethylsulfonyl)benzoic acid CAS Name: 3,4-dimethyl-5-(2-oxolanylmethylsulfonyl)benzoic acid IUPAC Name: 3,4-dimethyl-5-(oxolan-2-ylmethylsulfonyl)benzoic acid Traditional Name: 3,4-dimethyl-5-(tetrahydrofurfurylsulfonyl)benzoic acid Formula: C14H18O5S MolecularWeight: 298.35472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)CC2CCCO2)C

Isomeric SMILES

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)CC2CCCO2)C

InChI

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