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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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