sodium 2-bromoethyl 2-methyl-4-oxidanidylperoxysulfanyl-benzoate

Systemtic Name: sodium 2-bromoethyl 2-methyl-4-oxidanidylperoxysulfanyl-benzoate Openeye Name: sodium 2-bromoethyl 2-methyl-4-oxidoperoxysulfanyl-benzoate CAS Name: sodium 2-methyl-4-(oxidodioxythio)benzoic acid 2-bromoethyl ester IUPAC Name: sodium 2-bromoethyl 2-methyl-4-oxidoperoxysulfanylbenzoate Traditional Name: sodium 2-methyl-4-(oxidoperoxythio)benzoic acid 2-bromoethyl ester Formula: C10H10BrNaO5S MolecularWeight: 345.14217

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H11BrO5S.Na/c1-7-6-8(17-16-15-13)2-3-9(7)10(12)14-5-4-11;/h2-3,6,13H,4-5H2,1H3;/q;+1/p-1