2-pentylbenzenesulfonate

Systemtic Name: 2-pentylbenzenesulfonate Openeye Name: 2-pentylbenzenesulfonate CAS Name: 2-pentylbenzenesulfonate IUPAC Name: 2-pentylbenzenesulfonate Traditional Name: 2-amylbesylate Formula: C11H15O3S- MolecularWeight: 227.3

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=CC=C1S(=O)(=O)[O-]

Isomeric SMILES

CCCCCC1=CC=CC=C1S(=O)(=O)[O-]

InChI

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