2-octan-3-ylbenzenesulfonic acid

Systemtic Name: 2-octan-3-ylbenzenesulfonic acid Openeye Name: 2-(1-ethylhexyl)benzenesulfonic acid CAS Name: 2-octan-3-ylbenzenesulfonic acid IUPAC Name: 2-octan-3-ylbenzenesulfonic acid Traditional Name: 2-(1-ethylhexyl)besylic acid Formula: C14H22O3S MolecularWeight: 270.38768

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)C1=CC=CC=C1S(=O)(=O)O

Isomeric SMILES

CCCCCC(CC)C1=CC=CC=C1S(=O)(=O)O

InChI

InChI=1S/C14H22O3S/c1-3-5-6-9-12(4-2)13-10-7-8-11-14(13)18(15,16)17/h7-8,10-12H,3-6,9H2,1-2H3,(H,15,16,17)