2-[[5-(furan-2-ylmethylsulfanyl)-2,4-dinitro-phenyl]sulfanylmethyl]furan

Systemtic Name: 2-[[5-(furan-2-ylmethylsulfanyl)-2,4-dinitro-phenyl]sulfanylmethyl]furan Openeye Name: 2-[[5-(2-furylmethylsulfanyl)-2,4-dinitro-phenyl]sulfanylmethyl]furan CAS Name: 2-[[[5-(2-furanylmethylthio)-2,4-dinitrophenyl]thio]methyl]furan IUPAC Name: 2-[[5-(furan-2-ylmethylsulfanyl)-2,4-dinitrophenyl]sulfanylmethyl]furan Traditional Name: 2-[[[5-(2-furfurylthio)-2,4-dinitro-phenyl]thio]methyl]furan Formula: C16H12N2O6S2 MolecularWeight: 392.40628

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CSC2=CC(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])SCC3=CC=CO3

Isomeric SMILES

C1=COC(=C1)CSC2=CC(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])SCC3=CC=CO3

InChI

InChI=1S/C16H12N2O6S2/c19-17(20)13-7-14(18(21)22)16(26-10-12-4-2-6-24-12)8-15(13)25-9-11-3-1-5-23-11/h1-8H,9-10H2