[2-methyl-6-(oxidanylcarbamoyl)phenyl] 4-but-2-ynoxybenzenesulfonate

Systemtic Name: [2-methyl-6-(oxidanylcarbamoyl)phenyl] 4-but-2-ynoxybenzenesulfonate Openeye Name: [2-(hydroxycarbamoyl)-6-methyl-phenyl] 4-but-2-ynoxybenzenesulfonate CAS Name: 4-but-2-ynoxybenzenesulfonic acid [2-[(hydroxyamino)-oxomethyl]-6-methylphenyl] ester IUPAC Name: [2-(hydroxycarbamoyl)-6-methylphenyl] 4-but-2-ynoxybenzenesulfonate Traditional Name: 4-but-2-ynoxybenzenesulfonic acid [2-(hydroxycarbamoyl)-6-methyl-phenyl] ester Formula: C18H17NO6S MolecularWeight: 375.39568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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