1-nitro-2-(3-propan-2-ylsulfanylpropoxy)benzene

Systemtic Name: 1-nitro-2-(3-propan-2-ylsulfanylpropoxy)benzene Openeye Name: 1-(3-isopropylsulfanylpropoxy)-2-nitro-benzene CAS Name: 1-nitro-2-[3-(propan-2-ylthio)propoxy]benzene IUPAC Name: 1-nitro-2-(3-propan-2-ylsulfanylpropoxy)benzene Traditional Name: 1-[3-(isopropylthio)propoxy]-2-nitro-benzene Formula: C12H17NO3S MolecularWeight: 255.33328

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SCCCOC1=CC=CC=C1[N+](=O)[O-]

Isomeric SMILES

CC(C)SCCCOC1=CC=CC=C1[N+](=O)[O-]

InChI

InChI=1S/C12H17NO3S/c1-10(2)17-9-5-8-16-12-7-4-3-6-11(12)13(14)15/h3-4,6-7,10H,5,8-9H2,1-2H3