3,4-dimethyl-5-(3-methylbut-2-enylsulfonyl)benzoic acid

Systemtic Name: 3,4-dimethyl-5-(3-methylbut-2-enylsulfonyl)benzoic acid Openeye Name: 3,4-dimethyl-5-(3-methylbut-2-enylsulfonyl)benzoic acid CAS Name: 3,4-dimethyl-5-(3-methylbut-2-enylsulfonyl)benzoic acid IUPAC Name: 3,4-dimethyl-5-(3-methylbut-2-enylsulfonyl)benzoic acid Traditional Name: 3,4-dimethyl-5-(3-methylbut-2-enylsulfonyl)benzoic acid Formula: C14H18O4S MolecularWeight: 282.35532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18O4S/c1-9(2)5-6-19(17,18)13-8-12(14(15)16)7-10(3)11(13)4/h5,7-8H,6H2,1-4H3,(H,15,16)