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

Systemtic Name: 3,4-dimethyl-5-(oxan-2-ylmethylsulfonyl)benzoic acid Openeye Name: 3,4-dimethyl-5-(tetrahydropyran-2-ylmethylsulfonyl)benzoic acid CAS Name: 3,4-dimethyl-5-(2-oxanylmethylsulfonyl)benzoic acid IUPAC Name: 3,4-dimethyl-5-(oxan-2-ylmethylsulfonyl)benzoic acid Traditional Name: 3,4-dimethyl-5-(tetrahydropyran-2-ylmethylsulfonyl)benzoic acid Formula: C15H20O5S MolecularWeight: 312.3813

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20O5S/c1-10-7-12(15(16)17)8-14(11(10)2)21(18,19)9-13-5-3-4-6-20-13/h7-8,13H,3-6,9H2,1-2H3,(H,16,17)