2-bromanyl-3,7-dinitro-dibenzothiophene 5-oxide; phenanthrene

Systemtic Name: 2-bromanyl-3,7-dinitro-dibenzothiophene 5-oxide; phenanthrene Openeye Name: 2-bromo-3,7-dinitro-dibenzothiophene 5-oxide; phenanthrene CAS Name: 2-bromo-3,7-dinitrodibenzothiophene 5-oxide; phenanthrene IUPAC Name: 2-bromo-3,7-dinitrodibenzothiophene 5-oxide; phenanthrene Traditional Name: 2-bromo-3,7-dinitro-dibenzothiophene 5-oxide; phenanthrene Formula: C26H15BrN2O5S MolecularWeight: 547.3767

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C14H10.C12H5BrN2O5S/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13;13-9-4-8-7-2-1-6(14(16)17)3-11(7)21(20)12(8)5-10(9)15(18)19/h1-10H;1-5H