2-methyl-5-(3-methylbutylsulfonyl)benzoic acid

Systemtic Name: 2-methyl-5-(3-methylbutylsulfonyl)benzoic acid Openeye Name: 5-isopentylsulfonyl-2-methyl-benzoic acid CAS Name: 2-methyl-5-(3-methylbutylsulfonyl)benzoic acid IUPAC Name: 2-methyl-5-(3-methylbutylsulfonyl)benzoic acid Traditional Name: 5-isoamylsulfonyl-2-methyl-benzoic acid Formula: C13H18O4S MolecularWeight: 270.34462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18O4S/c1-9(2)6-7-18(16,17)11-5-4-10(3)12(8-11)13(14)15/h4-5,8-9H,6-7H2,1-3H3,(H,14,15)