dibenzothiophene; 2,4,5,7-tetranitrofluoren-9-one

Systemtic Name: dibenzothiophene; 2,4,5,7-tetranitrofluoren-9-one Openeye Name: dibenzothiophene; 2,4,5,7-tetranitrofluoren-9-one CAS Name: dibenzothiophene; 2,4,5,7-tetranitro-9-fluorenone IUPAC Name: dibenzothiophene; 2,4,5,7-tetranitrofluoren-9-one Traditional Name: dibenzothiophene; 2,4,5,7-tetranitrofluoren-9-one Formula: C25H12N4O9S MolecularWeight: 544.44918

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=CC=CC=C3S2.C1=C(C=C2C(=C1[N+](=O)[O-])C3=C(C=C(C=C3C2=O)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C3=CC=CC=C3S2.C1=C(C=C2C(=C1[N+](=O)[O-])C3=C(C=C(C=C3C2=O)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H4N4O9.C12H8S/c18-13-7-1-5(14(19)20)3-9(16(23)24)11(7)12-8(13)2-6(15(21)22)4-10(12)17(25)26;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-4H;1-8H