4-methyl-3-(oxan-2-ylmethylsulfonyl)benzoic acid

Systemtic Name: 4-methyl-3-(oxan-2-ylmethylsulfonyl)benzoic acid Openeye Name: 4-methyl-3-(tetrahydropyran-2-ylmethylsulfonyl)benzoic acid CAS Name: 4-methyl-3-(2-oxanylmethylsulfonyl)benzoic acid IUPAC Name: 4-methyl-3-(oxan-2-ylmethylsulfonyl)benzoic acid Traditional Name: 4-methyl-3-(tetrahydropyran-2-ylmethylsulfonyl)benzoic acid Formula: C14H18O5S MolecularWeight: 298.35472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)CC2CCCCO2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)CC2CCCCO2

InChI

InChI=1S/C14H18O5S/c1-10-5-6-11(14(15)16)8-13(10)20(17,18)9-12-4-2-3-7-19-12/h5-6,8,12H,2-4,7,9H2,1H3,(H,15,16)