sodium N-(2-bromoethyl)-3-methyl-4-oxidanidylperoxysulfanyl-aniline

Systemtic Name: sodium N-(2-bromoethyl)-3-methyl-4-oxidanidylperoxysulfanyl-aniline Openeye Name: sodium N-(2-bromoethyl)-3-methyl-4-oxidoperoxysulfanyl-aniline CAS Name: sodium 4-(2-bromoethylamino)-2-methylbenzenesulfenic acid oxidooxy ester IUPAC Name: sodium N-(2-bromoethyl)-3-methyl-4-oxidoperoxysulfanylaniline Traditional Name: sodium 2-bromoethyl-[3-methyl-4-(oxidoperoxythio)phenyl]amine Formula: C9H11BrNNaO3S MolecularWeight: 316.14731

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H12BrNO3S.Na/c1-7-6-8(11-5-4-10)2-3-9(7)15-14-13-12;/h2-3,6,11-12H,4-5H2,1H3;/q;+1/p-1