1-nitro-3-(2-nitro-1-phenylsulfanyl-ethyl)benzene

Systemtic Name: 1-nitro-3-(2-nitro-1-phenylsulfanyl-ethyl)benzene Openeye Name: 1-nitro-3-(2-nitro-1-phenylsulfanyl-ethyl)benzene CAS Name: 1-nitro-3-[2-nitro-1-(phenylthio)ethyl]benzene IUPAC Name: 1-nitro-3-(2-nitro-1-phenylsulfanylethyl)benzene Traditional Name: 1-nitro-3-[2-nitro-1-(phenylthio)ethyl]benzene Formula: C14H12N2O4S MolecularWeight: 304.32108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12N2O4S/c17-15(18)10-14(21-13-7-2-1-3-8-13)11-5-4-6-12(9-11)16(19)20/h1-9,14H,10H2