1-[(2R)-heptan-2-yl]oxysulfanyl-2,4-dinitro-benzene

Systemtic Name: 1-[(2R)-heptan-2-yl]oxysulfanyl-2,4-dinitro-benzene Openeye Name: 1-[(1R)-1-methylhexoxy]sulfanyl-2,4-dinitro-benzene CAS Name: 2,4-dinitrobenzenesulfenic acid [(2R)-heptan-2-yl] ester IUPAC Name: 1-[(2R)-heptan-2-yl]oxysulfanyl-2,4-dinitrobenzene Traditional Name: 1-[[(1R)-1-methylhexoxy]thio]-2,4-dinitro-benzene Formula: C13H18N2O5S MolecularWeight: 314.35742

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)OSC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCC[C@@H](C)OSC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H18N2O5S/c1-3-4-5-6-10(2)20-21-13-8-7-11(14(16)17)9-12(13)15(18)19/h7-10H,3-6H2,1-2H3/t10-/m1/s1