2,7-bis(4-tert-butylsulfanylphenyl)-3,5-dinitro-fluoren-9-one

Systemtic Name: 2,7-bis(4-tert-butylsulfanylphenyl)-3,5-dinitro-fluoren-9-one Openeye Name: 2,7-bis(4-tert-butylsulfanylphenyl)-3,5-dinitro-fluoren-9-one CAS Name: 2,7-bis[4-(tert-butylthio)phenyl]-3,5-dinitro-9-fluorenone IUPAC Name: 2,7-bis(4-tert-butylsulfanylphenyl)-3,5-dinitrofluoren-9-one Traditional Name: 2,7-bis[4-(tert-butylthio)phenyl]-3,5-dinitro-fluoren-9-one Formula: C33H30N2O5S2 MolecularWeight: 598.7317

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SC1=CC=C(C=C1)C2=CC3=C(C(=C2)[N+](=O)[O-])C4=C(C3=O)C=C(C(=C4)[N+](=O)[O-])C5=CC=C(C=C5)SC(C)(C)C

Isomeric SMILES

CC(C)(C)SC1=CC=C(C=C1)C2=CC3=C(C(=C2)[N+](=O)[O-])C4=C(C3=O)C=C(C(=C4)[N+](=O)[O-])C5=CC=C(C=C5)SC(C)(C)C

InChI

InChI=1S/C33H30N2O5S2/c1-32(2,3)41-22-11-7-19(8-12-22)21-15-27-30(29(16-21)35(39)40)25-18-28(34(37)38)24(17-26(25)31(27)36)20-9-13-23(14-10-20)42-33(4,5)6/h7-18H,1-6H3