7-bromanylbenzo[a]anthracene; 2-bromanyl-3,7-dinitro-dibenzothiophene 5-oxide

Systemtic Name: 7-bromanylbenzo[a]anthracene; 2-bromanyl-3,7-dinitro-dibenzothiophene 5-oxide Openeye Name: 7-bromobenzo[a]anthracene; 2-bromo-3,7-dinitro-dibenzothiophene 5-oxide CAS Name: 7-bromobenzo[a]anthracene; 2-bromo-3,7-dinitrodibenzothiophene 5-oxide IUPAC Name: 7-bromobenzo[a]anthracene; 2-bromo-3,7-dinitrodibenzothiophene 5-oxide Traditional Name: 7-bromobenz[a]anthracene; 2-bromo-3,7-dinitro-dibenzothiophene 5-oxide Formula: C30H16Br2N2O5S MolecularWeight: 676.33144

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=C(C4=CC=CC=C4C=C32)Br.C1=CC2=C(C=C1[N+](=O)[O-])S(=O)C3=CC(=C(C=C23)Br)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C(C4=CC=CC=C4C=C32)Br.C1=CC2=C(C=C1[N+](=O)[O-])S(=O)C3=CC(=C(C=C23)Br)[N+](=O)[O-]

InChI

InChI=1S/C18H11Br.C12H5BrN2O5S/c19-18-15-8-4-2-6-13(15)11-17-14-7-3-1-5-12(14)9-10-16(17)18;13-9-4-8-7-2-1-6(14(16)17)3-11(7)21(20)12(8)5-10(9)15(18)19/h1-11H;1-5H