S-[4-[7-(4-ethanoylsulfanylphenyl)-4,6-dinitro-9-oxidanylidene-fluoren-2-yl]phenyl] ethanethioate

Systemtic Name: S-[4-[7-(4-ethanoylsulfanylphenyl)-4,6-dinitro-9-oxidanylidene-fluoren-2-yl]phenyl] ethanethioate Openeye Name: S-[4-[7-(4-acetylsulfanylphenyl)-4,6-dinitro-9-oxo-fluoren-2-yl]phenyl] ethanethioate CAS Name: ethanethioic acid S-[4-[7-[4-(acetylthio)phenyl]-4,6-dinitro-9-oxo-2-fluorenyl]phenyl] ester IUPAC Name: S-[4-[7-(4-acetylsulfanylphenyl)-4,6-dinitro-9-oxofluoren-2-yl]phenyl] ethanethioate Traditional Name: ethanethioic acid S-[4-[7-[4-(acetylthio)phenyl]-9-keto-4,6-dinitro-fluoren-2-yl]phenyl] ester Formula: C29H18N2O7S2 MolecularWeight: 570.59242

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)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(=O)C

Isomeric SMILES

CC(=O)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(=O)C

InChI

InChI=1S/C29H18N2O7S2/c1-15(32)39-20-7-3-17(4-8-20)19-11-25-28(27(12-19)31(37)38)23-14-26(30(35)36)22(13-24(23)29(25)34)18-5-9-21(10-6-18)40-16(2)33/h3-14H,1-2H3