1-nitro-4-(5-propan-2-ylsulfanylpentoxy)benzene

Systemtic Name: 1-nitro-4-(5-propan-2-ylsulfanylpentoxy)benzene Openeye Name: 1-(5-isopropylsulfanylpentoxy)-4-nitro-benzene CAS Name: 1-nitro-4-[5-(propan-2-ylthio)pentoxy]benzene IUPAC Name: 1-nitro-4-(5-propan-2-ylsulfanylpentoxy)benzene Traditional Name: 1-[5-(isopropylthio)pentoxy]-4-nitro-benzene Formula: C14H21NO3S MolecularWeight: 283.38644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SCCCCCOC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CC(C)SCCCCCOC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C14H21NO3S/c1-12(2)19-11-5-3-4-10-18-14-8-6-13(7-9-14)15(16)17/h6-9,12H,3-5,10-11H2,1-2H3