2,4-dinitro-1-[(1S)-1-phenylbutoxy]sulfanyl-benzene

Systemtic Name: 2,4-dinitro-1-[(1S)-1-phenylbutoxy]sulfanyl-benzene Openeye Name: 2,4-dinitro-1-[(1S)-1-phenylbutoxy]sulfanyl-benzene CAS Name: 2,4-dinitrobenzenesulfenic acid [(1S)-1-phenylbutyl] ester IUPAC Name: 2,4-dinitro-1-[(1S)-1-phenylbutoxy]sulfanylbenzene Traditional Name: 2,4-dinitro-1-[[(1S)-1-phenylbutoxy]thio]benzene Formula: C16H16N2O5S MolecularWeight: 348.37364

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)OSC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCC[C@@H](C1=CC=CC=C1)OSC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H16N2O5S/c1-2-6-15(12-7-4-3-5-8-12)23-24-16-10-9-13(17(19)20)11-14(16)18(21)22/h3-5,7-11,15H,2,6H2,1H3/t15-/m0/s1