1-(1-butoxy-3-chloranyl-propan-2-yl)oxy-2,4-dinitro-benzene

Systemtic Name: 1-(1-butoxy-3-chloranyl-propan-2-yl)oxy-2,4-dinitro-benzene Openeye Name: 1-[1-(butoxymethyl)-2-chloro-ethoxy]-2,4-dinitro-benzene CAS Name: 1-(1-butoxy-3-chloropropan-2-yl)oxy-2,4-dinitrobenzene IUPAC Name: 1-(1-butoxy-3-chloropropan-2-yl)oxy-2,4-dinitrobenzene Traditional Name: 1-[1-(butoxymethyl)-2-chloro-ethoxy]-2,4-dinitro-benzene Formula: C13H17ClN2O6 MolecularWeight: 332.73688

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCC(CCl)OC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCOCC(CCl)OC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H17ClN2O6/c1-2-3-6-21-9-11(8-14)22-13-5-4-10(15(17)18)7-12(13)16(19)20/h4-5,7,11H,2-3,6,8-9H2,1H3