[4-methyl-2-(oxidanylcarbamoyl)phenyl] 4-but-2-ynoxybenzenesulfonate

Systemtic Name: [4-methyl-2-(oxidanylcarbamoyl)phenyl] 4-but-2-ynoxybenzenesulfonate Openeye Name: [2-(hydroxycarbamoyl)-4-methyl-phenyl] 4-but-2-ynoxybenzenesulfonate CAS Name: 4-but-2-ynoxybenzenesulfonic acid [2-[(hydroxyamino)-oxomethyl]-4-methylphenyl] ester IUPAC Name: [2-(hydroxycarbamoyl)-4-methylphenyl] 4-but-2-ynoxybenzenesulfonate Traditional Name: 4-but-2-ynoxybenzenesulfonic acid [2-(hydroxycarbamoyl)-4-methyl-phenyl] 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=C(C=C(C=C2)C)C(=O)NO

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C)C(=O)NO

InChI

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