(2-methylphenyl) 4-but-2-ynoxy-2-(oxidanylcarbamoyl)benzenesulfonate

Systemtic Name: (2-methylphenyl) 4-but-2-ynoxy-2-(oxidanylcarbamoyl)benzenesulfonate Openeye Name: o-tolyl 4-but-2-ynoxy-2-(hydroxycarbamoyl)benzenesulfonate CAS Name: 4-but-2-ynoxy-2-[(hydroxyamino)-oxomethyl]benzenesulfonic acid (2-methylphenyl) ester IUPAC Name: (2-methylphenyl) 4-but-2-ynoxy-2-(hydroxycarbamoyl)benzenesulfonate Traditional Name: 4-but-2-ynoxy-2-(hydroxycarbamoyl)benzenesulfonic acid o-tolyl ester Formula: C18H17NO6S MolecularWeight: 375.39568

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC(=C(C=C1)S(=O)(=O)OC2=CC=CC=C2C)C(=O)NO

Isomeric SMILES

CC#CCOC1=CC(=C(C=C1)S(=O)(=O)OC2=CC=CC=C2C)C(=O)NO

InChI

InChI=1S/C18H17NO6S/c1-3-4-11-24-14-9-10-17(15(12-14)18(20)19-21)26(22,23)25-16-8-6-5-7-13(16)2/h5-10,12,21H,11H2,1-2H3,(H,19,20)