benzo[a]anthracene; 3,7-dinitro-5-oxidanylidene-dibenzothiophene-2-carbonitrile

Systemtic Name: benzo[a]anthracene; 3,7-dinitro-5-oxidanylidene-dibenzothiophene-2-carbonitrile Openeye Name: benzo[a]anthracene; 3,7-dinitro-5-oxo-dibenzothiophene-2-carbonitrile CAS Name: benzo[a]anthracene; 3,7-dinitro-5-oxo-2-dibenzothiophenecarbonitrile IUPAC Name: benzo[a]anthracene; 3,7-dinitro-5-oxodibenzothiophene-2-carbonitrile Traditional Name: benz[a]anthracene; 5-keto-3,7-dinitro-dibenzothiophene-2-carbonitrile Formula: C31H17N3O5S MolecularWeight: 543.54878

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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=C2C=C(C(=C3)[N+](=O)[O-])C#N

Isomeric SMILES

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

InChI

InChI=1S/C18H12.C13H5N3O5S/c1-2-7-15-12-18-16(11-14(15)6-1)10-9-13-5-3-4-8-17(13)18;14-6-7-3-10-9-2-1-8(15(17)18)4-12(9)22(21)13(10)5-11(7)16(19)20/h1-12H;1-5H