1-nitro-4-(3-propan-2-ylsulfanylpropoxy)benzene

Systemtic Name: 1-nitro-4-(3-propan-2-ylsulfanylpropoxy)benzene Openeye Name: 1-(3-isopropylsulfanylpropoxy)-4-nitro-benzene CAS Name: 1-nitro-4-[3-(propan-2-ylthio)propoxy]benzene IUPAC Name: 1-nitro-4-(3-propan-2-ylsulfanylpropoxy)benzene Traditional Name: 1-[3-(isopropylthio)propoxy]-4-nitro-benzene Formula: C12H17NO3S MolecularWeight: 255.33328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17NO3S/c1-10(2)17-9-3-8-16-12-6-4-11(5-7-12)13(14)15/h4-7,10H,3,8-9H2,1-2H3