S-[4-[2-[2,5-dinitro-4-(2-phenylethynyl)phenyl]ethynyl]phenyl] ethanethioate

Systemtic Name: S-[4-[2-[2,5-dinitro-4-(2-phenylethynyl)phenyl]ethynyl]phenyl] ethanethioate Openeye Name: S-[4-[2-[2,5-dinitro-4-(2-phenylethynyl)phenyl]ethynyl]phenyl] ethanethioate CAS Name: ethanethioic acid S-[4-[2-[2,5-dinitro-4-(2-phenylethynyl)phenyl]ethynyl]phenyl] ester IUPAC Name: S-[4-[2-[2,5-dinitro-4-(2-phenylethynyl)phenyl]ethynyl]phenyl] ethanethioate Traditional Name: ethanethioic acid S-[4-[2-[2,5-dinitro-4-(2-phenylethynyl)phenyl]ethynyl]phenyl] ester Formula: C24H14N2O5S MolecularWeight: 442.44336

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1=CC=C(C=C1)C#CC2=C(C=C(C(=C2)[N+](=O)[O-])C#CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)SC1=CC=C(C=C1)C#CC2=C(C=C(C(=C2)[N+](=O)[O-])C#CC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C24H14N2O5S/c1-17(27)32-22-13-9-19(10-14-22)8-12-21-16-23(25(28)29)20(15-24(21)26(30)31)11-7-18-5-3-2-4-6-18/h2-6,9-10,13-16H,1H3