4-ethylbenzenesulfonate

Systemtic Name: 4-ethylbenzenesulfonate Openeye Name: 4-ethylbenzenesulfonate CAS Name: 4-ethylbenzenesulfonate IUPAC Name: 4-ethylbenzenesulfonate Traditional Name: 4-ethylbesylate Formula: C8H9O3S- MolecularWeight: 185.22026

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C8H10O3S/c1-2-7-3-5-8(6-4-7)12(9,10)11/h3-6H,2H2,1H3,(H,9,10,11)/p-1