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4-butyl-3-methyl-benzenesulfonic acid

4-butyl-3-methyl-benzenesulfonic acid

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

Canonical SMILES:

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


Isomeric SMILES

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


InChI

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


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