1,6-diethyl-4,9-dinitro-thianthrene

Systemtic Name: 1,6-diethyl-4,9-dinitro-thianthrene Openeye Name: 1,6-diethyl-4,9-dinitro-thianthrene CAS Name: 1,6-diethyl-4,9-dinitrothianthrene IUPAC Name: 1,6-diethyl-4,9-dinitrothianthrene Traditional Name: 1,6-diethyl-4,9-dinitro-thianthrene Formula: C16H14N2O4S2 MolecularWeight: 362.42336

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=C(C=C1)[N+](=O)[O-])SC3=C(C=CC(=C3S2)[N+](=O)[O-])CC

Isomeric SMILES

CCC1=C2C(=C(C=C1)[N+](=O)[O-])SC3=C(C=CC(=C3S2)[N+](=O)[O-])CC

InChI

InChI=1S/C16H14N2O4S2/c1-3-9-5-7-11(17(19)20)15-13(9)23-16-12(18(21)22)8-6-10(4-2)14(16)24-15/h5-8H,3-4H2,1-2H3