3-butyl-4-methyl-benzenesulfonic acid

Systemtic Name: 3-butyl-4-methyl-benzenesulfonic acid Openeye Name: 3-butyl-4-methyl-benzenesulfonic acid CAS Name: 3-butyl-4-methylbenzenesulfonic acid IUPAC Name: 3-butyl-4-methylbenzenesulfonic acid Traditional Name: 3-butyl-4-methyl-besylic acid Formula: C11H16O3S MolecularWeight: 228.30794

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=CC(=C1)S(=O)(=O)O)C

Isomeric SMILES

CCCCC1=C(C=CC(=C1)S(=O)(=O)O)C

InChI

InChI=1S/C11H16O3S/c1-3-4-5-10-8-11(15(12,13)14)7-6-9(10)2/h6-8H,3-5H2,1-2H3,(H,12,13,14)