2,5-bis(butylsulfanyl)-4,7-dinitro-fluoren-9-one

Systemtic Name: 2,5-bis(butylsulfanyl)-4,7-dinitro-fluoren-9-one Openeye Name: 2,5-bis(butylsulfanyl)-4,7-dinitro-fluoren-9-one CAS Name: 2,5-bis(butylthio)-4,7-dinitro-9-fluorenone IUPAC Name: 2,5-bis(butylsulfanyl)-4,7-dinitrofluoren-9-one Traditional Name: 2,5-bis(butylthio)-4,7-dinitro-fluoren-9-one Formula: C21H22N2O5S2 MolecularWeight: 446.53978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O5S2/c1-3-5-7-29-14-11-16-19(17(12-14)23(27)28)20-15(21(16)24)9-13(22(25)26)10-18(20)30-8-6-4-2/h9-12H,3-8H2,1-2H3