4-pentylbenzenesulfonate

Systemtic Name: 4-pentylbenzenesulfonate Openeye Name: 4-pentylbenzenesulfonate CAS Name: 4-pentylbenzenesulfonate IUPAC Name: 4-pentylbenzenesulfonate Traditional Name: 4-amylbesylate Formula: C11H15O3S- MolecularWeight: 227.3

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

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