4-methyl-3-(3-methylbutylsulfonyl)benzoic acid

Systemtic Name: 4-methyl-3-(3-methylbutylsulfonyl)benzoic acid Openeye Name: 3-isopentylsulfonyl-4-methyl-benzoic acid CAS Name: 4-methyl-3-(3-methylbutylsulfonyl)benzoic acid IUPAC Name: 4-methyl-3-(3-methylbutylsulfonyl)benzoic acid Traditional Name: 3-isoamylsulfonyl-4-methyl-benzoic acid Formula: C13H18O4S MolecularWeight: 270.34462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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