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

Systemtic Name: 2,4-dinitro-1-[(2R)-octan-2-yl]oxysulfanyl-benzene Openeye Name: 1-[(1R)-1-methylheptoxy]sulfanyl-2,4-dinitro-benzene CAS Name: 2,4-dinitrobenzenesulfenic acid [(2R)-octan-2-yl] ester IUPAC Name: 2,4-dinitro-1-[(2R)-octan-2-yl]oxysulfanylbenzene Traditional Name: 1-[[(1R)-1-methylheptoxy]thio]-2,4-dinitro-benzene Formula: C14H20N2O5S MolecularWeight: 328.384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O5S/c1-3-4-5-6-7-11(2)21-22-14-9-8-12(15(17)18)10-13(14)16(19)20/h8-11H,3-7H2,1-2H3/t11-/m1/s1