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

Systemtic Name: sodium 3,5-bis(chloranyl)-4-methyl-benzenesulfonate Openeye Name: sodium 3,5-dichloro-4-methyl-benzenesulfonate CAS Name: sodium 3,5-dichloro-4-methylbenzenesulfonate IUPAC Name: sodium 3,5-dichloro-4-methylbenzenesulfonate Traditional Name: sodium 3,5-dichloro-4-methyl-besylate Formula: C7H5Cl2NaO3S MolecularWeight: 263.07357

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1Cl)S(=O)(=O)[O-])Cl.[Na+]

Isomeric SMILES

CC1=C(C=C(C=C1Cl)S(=O)(=O)[O-])Cl.[Na+]

InChI

InChI=1S/C7H6Cl2O3S.Na/c1-4-6(8)2-5(3-7(4)9)13(10,11)12;/h2-3H,1H3,(H,10,11,12);/q;+1/p-1