4-butylbenzenesulfonate

Systemtic Name: 4-butylbenzenesulfonate Openeye Name: 4-butylbenzenesulfonate CAS Name: 4-butylbenzenesulfonate IUPAC Name: 4-butylbenzenesulfonate Traditional Name: 4-butylbesylate Formula: C10H13O3S- MolecularWeight: 213.27342

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C10H14O3S/c1-2-3-4-9-5-7-10(8-6-9)14(11,12)13/h5-8H,2-4H2,1H3,(H,11,12,13)/p-1