1-[(1S)-2-methyl-1-phenyl-propoxy]sulfanyl-2,4-dinitro-benzene

Systemtic Name: 1-[(1S)-2-methyl-1-phenyl-propoxy]sulfanyl-2,4-dinitro-benzene Openeye Name: 1-[(1S)-2-methyl-1-phenyl-propoxy]sulfanyl-2,4-dinitro-benzene CAS Name: 2,4-dinitrobenzenesulfenic acid [(1S)-2-methyl-1-phenylpropyl] ester IUPAC Name: 1-[(1S)-2-methyl-1-phenylpropoxy]sulfanyl-2,4-dinitrobenzene Traditional Name: 1-[[(1S)-2-methyl-1-phenyl-propoxy]thio]-2,4-dinitro-benzene Formula: C16H16N2O5S MolecularWeight: 348.37364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O5S/c1-11(2)16(12-6-4-3-5-7-12)23-24-15-9-8-13(17(19)20)10-14(15)18(21)22/h3-11,16H,1-2H3/t16-/m0/s1