2,4-dinitro-1-[(2-phenylcyclopropyl)methylsulfanyl]benzene

Systemtic Name: 2,4-dinitro-1-[(2-phenylcyclopropyl)methylsulfanyl]benzene Openeye Name: 2,4-dinitro-1-[(2-phenylcyclopropyl)methylsulfanyl]benzene CAS Name: 2,4-dinitro-1-[(2-phenylcyclopropyl)methylthio]benzene IUPAC Name: 2,4-dinitro-1-[(2-phenylcyclopropyl)methylsulfanyl]benzene Traditional Name: 2,4-dinitro-1-[(2-phenylcyclopropyl)methylthio]benzene Formula: C16H14N2O4S MolecularWeight: 330.35836

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C1C2=CC=CC=C2)CSC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1C(C1C2=CC=CC=C2)CSC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H14N2O4S/c19-17(20)13-6-7-16(15(9-13)18(21)22)23-10-12-8-14(12)11-4-2-1-3-5-11/h1-7,9,12,14H,8,10H2