4-(4-nitrophenyl)sulfanylbut-2-ynyl 4-nitrobenzoate

Systemtic Name: 4-(4-nitrophenyl)sulfanylbut-2-ynyl 4-nitrobenzoate Openeye Name: 4-(4-nitrophenyl)sulfanylbut-2-ynyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid 4-[(4-nitrophenyl)thio]but-2-ynyl ester IUPAC Name: 4-(4-nitrophenyl)sulfanylbut-2-ynyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid 4-[(4-nitrophenyl)thio]but-2-ynyl ester Formula: C17H12N2O6S MolecularWeight: 372.35198

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OCC#CCSC2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)OCC#CCSC2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H12N2O6S/c20-17(13-3-5-14(6-4-13)18(21)22)25-11-1-2-12-26-16-9-7-15(8-10-16)19(23)24/h3-10H,11-12H2