4-methyl-2-(2-methylbutyl)benzenesulfonic acid

Systemtic Name: 4-methyl-2-(2-methylbutyl)benzenesulfonic acid Openeye Name: 4-methyl-2-(2-methylbutyl)benzenesulfonic acid CAS Name: 4-methyl-2-(2-methylbutyl)benzenesulfonic acid IUPAC Name: 4-methyl-2-(2-methylbutyl)benzenesulfonic acid Traditional Name: 4-methyl-2-(2-methylbutyl)besylic acid Formula: C12H18O3S MolecularWeight: 242.33452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18O3S/c1-4-9(2)7-11-8-10(3)5-6-12(11)16(13,14)15/h5-6,8-9H,4,7H2,1-3H3,(H,13,14,15)