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

Systemtic Name: [2-methoxy-6-(oxidanylcarbamoyl)phenyl] 4-but-2-ynoxybenzenesulfonate Openeye Name: [2-(hydroxycarbamoyl)-6-methoxy-phenyl] 4-but-2-ynoxybenzenesulfonate CAS Name: 4-but-2-ynoxybenzenesulfonic acid [2-[(hydroxyamino)-oxomethyl]-6-methoxyphenyl] ester IUPAC Name: [2-(hydroxycarbamoyl)-6-methoxyphenyl] 4-but-2-ynoxybenzenesulfonate Traditional Name: 4-but-2-ynoxybenzenesulfonic acid [2-(hydroxycarbamoyl)-6-methoxy-phenyl] ester Formula: C18H17NO7S MolecularWeight: 391.39508

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=CC=C2OC)C(=O)NO

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=CC=C2OC)C(=O)NO

InChI

InChI=1S/C18H17NO7S/c1-3-4-12-25-13-8-10-14(11-9-13)27(22,23)26-17-15(18(20)19-21)6-5-7-16(17)24-2/h5-11,21H,12H2,1-2H3,(H,19,20)