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

Systemtic Name: benzo[a]anthracene; 2-bromanyl-3,7-dinitro-dibenzothiophene 5-oxide Openeye Name: benzo[a]anthracene; 2-bromo-3,7-dinitro-dibenzothiophene 5-oxide CAS Name: benzo[a]anthracene; 2-bromo-3,7-dinitrodibenzothiophene 5-oxide IUPAC Name: benzo[a]anthracene; 2-bromo-3,7-dinitrodibenzothiophene 5-oxide Traditional Name: benz[a]anthracene; 2-bromo-3,7-dinitro-dibenzothiophene 5-oxide Formula: C30H17BrN2O5S MolecularWeight: 597.43538

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=CC4=CC=CC=C4C=C32.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=CC4=CC=CC=C4C=C32.C1=CC2=C(C=C1[N+](=O)[O-])S(=O)C3=CC(=C(C=C23)Br)[N+](=O)[O-]

InChI

InChI=1S/C18H12.C12H5BrN2O5S/c1-2-7-15-12-18-16(11-14(15)6-1)10-9-13-5-3-4-8-17(13)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/h1-12H;1-5H