1-nitro-4-(4-propan-2-ylsulfanylbutoxy)benzene

Systemtic Name: 1-nitro-4-(4-propan-2-ylsulfanylbutoxy)benzene Openeye Name: 1-(4-isopropylsulfanylbutoxy)-4-nitro-benzene CAS Name: 1-nitro-4-[4-(propan-2-ylthio)butoxy]benzene IUPAC Name: 1-nitro-4-(4-propan-2-ylsulfanylbutoxy)benzene Traditional Name: 1-[4-(isopropylthio)butoxy]-4-nitro-benzene Formula: C13H19NO3S MolecularWeight: 269.35986

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SCCCCOC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CC(C)SCCCCOC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C13H19NO3S/c1-11(2)18-10-4-3-9-17-13-7-5-12(6-8-13)14(15)16/h5-8,11H,3-4,9-10H2,1-2H3