4-(phenylsulfonyl)but-2-ynyl 4-nitrobenzoate

Systemtic Name: 4-(phenylsulfonyl)but-2-ynyl 4-nitrobenzoate Openeye Name: 4-(benzenesulfonyl)but-2-ynyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid 4-(benzenesulfonyl)but-2-ynyl ester IUPAC Name: 4-(benzenesulfonyl)but-2-ynyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid 4-besylbut-2-ynyl ester Formula: C17H13NO6S MolecularWeight: 359.35322

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)CC#CCOC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)CC#CCOC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H13NO6S/c19-17(14-8-10-15(11-9-14)18(20)21)24-12-4-5-13-25(22,23)16-6-2-1-3-7-16/h1-3,6-11H,12-13H2