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3-methyl-1-(4-methylphenyl)sulfanyl-1-nitro-butan-2-ol

3-methyl-1-(4-methylphenyl)sulfanyl-1-nitro-butan-2-ol

Systemtic Name:3-methyl-1-(4-methylphenyl)sulfanyl-1-nitro-butan-2-ol
Openeye Name:3-methyl-1-nitro-1-(p-tolylsulfanyl)butan-2-ol
CAS Name:3-methyl-1-[(4-methylphenyl)thio]-1-nitro-2-butanol
IUPAC Name:3-methyl-1-(4-methylphenyl)sulfanyl-1-nitrobutan-2-ol
Traditional Name:3-methyl-1-nitro-1-(p-tolylthio)butan-2-ol
Formula: C12H17NO3S
MolecularWeight: 255.33328
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(C(C(C)C)O)[N+](=O)[O-]


Isomeric SMILES

CC1=CC=C(C=C1)SC(C(C(C)C)O)[N+](=O)[O-]


InChI

InChI=1S/C12H17NO3S/c1-8(2)11(14)12(13(15)16)17-10-6-4-9(3)5-7-10/h4-8,11-12,14H,1-3H3


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