2,7-bis(bromanyl)-1,6-dimethyl-4,9-dinitro-thianthrene

Systemtic Name: 2,7-bis(bromanyl)-1,6-dimethyl-4,9-dinitro-thianthrene Openeye Name: 2,7-dibromo-1,6-dimethyl-4,9-dinitro-thianthrene CAS Name: 2,7-dibromo-1,6-dimethyl-4,9-dinitrothianthrene IUPAC Name: 2,7-dibromo-1,6-dimethyl-4,9-dinitrothianthrene Traditional Name: 2,7-dibromo-1,6-dimethyl-4,9-dinitro-thianthrene Formula: C14H8Br2N2O4S2 MolecularWeight: 492.16232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C2=C1SC3=C(S2)C(=C(C=C3[N+](=O)[O-])Br)C)[N+](=O)[O-])Br

Isomeric SMILES

CC1=C(C=C(C2=C1SC3=C(S2)C(=C(C=C3[N+](=O)[O-])Br)C)[N+](=O)[O-])Br

InChI

InChI=1S/C14H8Br2N2O4S2/c1-5-7(15)3-9(17(19)20)13-11(5)23-14-10(18(21)22)4-8(16)6(2)12(14)24-13/h3-4H,1-2H3