sodium (2-methyl-4-oxidanidylperoxysulfanyl-phenyl) 3-chloranylpropanoate

Systemtic Name: sodium (2-methyl-4-oxidanidylperoxysulfanyl-phenyl) 3-chloranylpropanoate Openeye Name: sodium (2-methyl-4-oxidoperoxysulfanyl-phenyl) 3-chloropropanoate CAS Name: sodium 3-chloropropanoic acid [2-methyl-4-(oxidodioxythio)phenyl] ester IUPAC Name: sodium (2-methyl-4-oxidoperoxysulfanylphenyl) 3-chloropropanoate Traditional Name: sodium 3-chloropropionic acid [2-methyl-4-(oxidoperoxythio)phenyl] ester Formula: C10H10ClNaO5S MolecularWeight: 300.69117

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H11ClO5S.Na/c1-7-6-8(17-16-15-13)2-3-9(7)14-10(12)4-5-11;/h2-3,6,13H,4-5H2,1H3;/q;+1/p-1