2,8-bis(bromanyl)-1,9-dimethyl-4,6-dinitro-thianthrene

Systemtic Name: 2,8-bis(bromanyl)-1,9-dimethyl-4,6-dinitro-thianthrene Openeye Name: 2,8-dibromo-1,9-dimethyl-4,6-dinitro-thianthrene CAS Name: 2,8-dibromo-1,9-dimethyl-4,6-dinitrothianthrene IUPAC Name: 2,8-dibromo-1,9-dimethyl-4,6-dinitrothianthrene Traditional Name: 2,8-dibromo-1,9-dimethyl-4,6-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(=CC(=C3C)Br)[N+](=O)[O-])[N+](=O)[O-])Br

Isomeric SMILES

CC1=C(C=C(C2=C1SC3=C(S2)C(=CC(=C3C)Br)[N+](=O)[O-])[N+](=O)[O-])Br

InChI

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