2-(2-butylsulfanyl-4,5,7-trinitro-fluoren-9-ylidene)propanedinitrile

Systemtic Name: 2-(2-butylsulfanyl-4,5,7-trinitro-fluoren-9-ylidene)propanedinitrile Openeye Name: 2-(2-butylsulfanyl-4,5,7-trinitro-fluoren-9-ylidene)propanedinitrile CAS Name: 2-[2-(butylthio)-4,5,7-trinitro-9-fluorenylidene]propanedinitrile IUPAC Name: 2-(2-butylsulfanyl-4,5,7-trinitrofluoren-9-ylidene)propanedinitrile Traditional Name: 2-[2-(butylthio)-4,5,7-trinitro-fluoren-9-ylidene]malononitrile Formula: C20H13N5O6S MolecularWeight: 451.41212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=CC(=C2C(=C1)C(=C(C#N)C#N)C3=CC(=CC(=C32)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCSC1=CC(=C2C(=C1)C(=C(C#N)C#N)C3=CC(=CC(=C32)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H13N5O6S/c1-2-3-4-32-13-7-15-18(11(9-21)10-22)14-5-12(23(26)27)6-16(24(28)29)19(14)20(15)17(8-13)25(30)31/h5-8H,2-4H2,1H3