4-cyclobutyl-2-methyl-5-methylsulfonyl-benzoic acid

Systemtic Name: 4-cyclobutyl-2-methyl-5-methylsulfonyl-benzoic acid Openeye Name: 4-cyclobutyl-2-methyl-5-methylsulfonyl-benzoic acid CAS Name: 4-cyclobutyl-2-methyl-5-methylsulfonylbenzoic acid IUPAC Name: 4-cyclobutyl-2-methyl-5-methylsulfonylbenzoic acid Traditional Name: 4-cyclobutyl-5-mesyl-2-methyl-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)C)C2CCC2

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)O)S(=O)(=O)C)C2CCC2

InChI

InChI=1S/C13H16O4S/c1-8-6-11(9-4-3-5-9)12(18(2,16)17)7-10(8)13(14)15/h6-7,9H,3-5H2,1-2H3,(H,14,15)