4-(4-methylphenyl)sulfonylbut-2-ynyl 4-nitrobenzoate

Systemtic Name: 4-(4-methylphenyl)sulfonylbut-2-ynyl 4-nitrobenzoate Openeye Name: 4-(p-tolylsulfonyl)but-2-ynyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid 4-(4-methylphenyl)sulfonylbut-2-ynyl ester IUPAC Name: 4-(4-methylphenyl)sulfonylbut-2-ynyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid 4-tosylbut-2-ynyl ester Formula: C18H15NO6S MolecularWeight: 373.3798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC#CCOC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC#CCOC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H15NO6S/c1-14-4-10-17(11-5-14)26(23,24)13-3-2-12-25-18(20)15-6-8-16(9-7-15)19(21)22/h4-11H,12-13H2,1H3