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4-pentan-2-ylbenzenesulfonic acid

4-pentan-2-ylbenzenesulfonic acid

Systemtic Name:4-pentan-2-ylbenzenesulfonic acid
Openeye Name:4-(1-methylbutyl)benzenesulfonic acid
CAS Name:4-pentan-2-ylbenzenesulfonic acid
IUPAC Name:4-pentan-2-ylbenzenesulfonic acid
Traditional Name:4-(1-methylbutyl)besylic acid
Formula: C11H16O3S
MolecularWeight: 228.30794
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C11H16O3S/c1-3-4-9(2)10-5-7-11(8-6-10)15(12,13)14/h5-9H,3-4H2,1-2H3,(H,12,13,14)


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