2-butylsulfanyl-4,5,7-trinitro-fluoren-9-one

Systemtic Name: 2-butylsulfanyl-4,5,7-trinitro-fluoren-9-one Openeye Name: 2-butylsulfanyl-4,5,7-trinitro-fluoren-9-one CAS Name: 2-(butylthio)-4,5,7-trinitro-9-fluorenone IUPAC Name: 2-butylsulfanyl-4,5,7-trinitrofluoren-9-one Traditional Name: 2-(butylthio)-4,5,7-trinitro-fluoren-9-one Formula: C17H13N3O7S MolecularWeight: 403.36602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13N3O7S/c1-2-3-4-28-10-7-12-16(14(8-10)20(26)27)15-11(17(12)21)5-9(18(22)23)6-13(15)19(24)25/h5-8H,2-4H2,1H3