sodium (2-methyl-4-oxidanidylperoxysulfanyl-phenyl) 2-chloranylethanesulfonate

Systemtic Name: sodium (2-methyl-4-oxidanidylperoxysulfanyl-phenyl) 2-chloranylethanesulfonate Openeye Name: sodium (2-methyl-4-oxidoperoxysulfanyl-phenyl) 2-chloroethanesulfonate CAS Name: sodium 2-chloroethanesulfonic acid [2-methyl-4-(oxidodioxythio)phenyl] ester IUPAC Name: sodium (2-methyl-4-oxidoperoxysulfanylphenyl) 2-chloroethanesulfonate Traditional Name: sodium 2-chloroethanesulfonic acid [2-methyl-4-(oxidoperoxythio)phenyl] ester Formula: C9H10ClNaO6S2 MolecularWeight: 336.74487

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SOO[O-])OS(=O)(=O)CCCl.[Na+]

Isomeric SMILES

CC1=C(C=CC(=C1)SOO[O-])OS(=O)(=O)CCCl.[Na+]

InChI

InChI=1S/C9H11ClO6S2.Na/c1-7-6-8(17-16-15-11)2-3-9(7)14-18(12,13)5-4-10;/h2-3,6,11H,4-5H2,1H3;/q;+1/p-1