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

Systemtic Name: 2,7-bis(butylsulfonyl)-4,5-dinitro-fluoren-9-one Openeye Name: 2,7-bis(butylsulfonyl)-4,5-dinitro-fluoren-9-one CAS Name: 2,7-bis(butylsulfonyl)-4,5-dinitro-9-fluorenone IUPAC Name: 2,7-bis(butylsulfonyl)-4,5-dinitrofluoren-9-one Traditional Name: 2,7-bis(butylsulfonyl)-4,5-dinitro-fluoren-9-one Formula: C21H22N2O9S2 MolecularWeight: 510.53738

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)C1=CC(=C2C(=C1)C(=O)C3=CC(=CC(=C32)[N+](=O)[O-])S(=O)(=O)CCCC)[N+](=O)[O-]

Isomeric SMILES

CCCCS(=O)(=O)C1=CC(=C2C(=C1)C(=O)C3=CC(=CC(=C32)[N+](=O)[O-])S(=O)(=O)CCCC)[N+](=O)[O-]

InChI

InChI=1S/C21H22N2O9S2/c1-3-5-7-33(29,30)13-9-15-19(17(11-13)22(25)26)20-16(21(15)24)10-14(12-18(20)23(27)28)34(31,32)8-6-4-2/h9-12H,3-8H2,1-2H3