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

Systemtic Name: 1-[(2R)-hexan-2-yl]oxysulfanyl-2,4-dinitro-benzene Openeye Name: 1-[(1R)-1-methylpentoxy]sulfanyl-2,4-dinitro-benzene CAS Name: 2,4-dinitrobenzenesulfenic acid [(2R)-hexan-2-yl] ester IUPAC Name: 1-[(2R)-hexan-2-yl]oxysulfanyl-2,4-dinitrobenzene Traditional Name: 1-[[(1R)-1-methylpentoxy]thio]-2,4-dinitro-benzene Formula: C12H16N2O5S MolecularWeight: 300.33084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2O5S/c1-3-4-5-9(2)19-20-12-7-6-10(13(15)16)8-11(12)14(17)18/h6-9H,3-5H2,1-2H3/t9-/m1/s1