N-(2-iodanylethyl)-3-methyl-4-(trioxidanylsulfanyl)aniline

Systemtic Name: N-(2-iodanylethyl)-3-methyl-4-(trioxidanylsulfanyl)aniline Openeye Name: N-(2-iodoethyl)-3-methyl-4-(trioxidanylsulfanyl)aniline CAS Name: 4-(2-iodoethylamino)-2-methylbenzenesulfenic acid hydroperoxy ester IUPAC Name: N-(2-iodoethyl)-3-methyl-4-(trioxidanylsulfanyl)aniline Traditional Name: 2-iodoethyl-[3-methyl-4-(trioxidanylthio)phenyl]amine Formula: C9H12INO3S MolecularWeight: 341.16595

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NCCI)SOOO

Isomeric SMILES

CC1=C(C=CC(=C1)NCCI)SOOO

InChI

InChI=1S/C9H12INO3S/c1-7-6-8(11-5-4-10)2-3-9(7)15-14-13-12/h2-3,6,11-12H,4-5H2,1H3