sodium 3,5-bis(chloranyl)-4-ethyl-benzenesulfonate

Systemtic Name: sodium 3,5-bis(chloranyl)-4-ethyl-benzenesulfonate Openeye Name: sodium 3,5-dichloro-4-ethyl-benzenesulfonate CAS Name: sodium 3,5-dichloro-4-ethylbenzenesulfonate IUPAC Name: sodium 3,5-dichloro-4-ethylbenzenesulfonate Traditional Name: sodium 3,5-dichloro-4-ethyl-besylate Formula: C8H7Cl2NaO3S MolecularWeight: 277.10015

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1Cl)S(=O)(=O)[O-])Cl.[Na+]

Isomeric SMILES

CCC1=C(C=C(C=C1Cl)S(=O)(=O)[O-])Cl.[Na+]

InChI

InChI=1S/C8H8Cl2O3S.Na/c1-2-6-7(9)3-5(4-8(6)10)14(11,12)13;/h3-4H,2H2,1H3,(H,11,12,13);/q;+1/p-1