[3-(oxidanylcarbamoyl)naphthalen-2-yl] 4-but-2-ynoxybenzenesulfonate

Systemtic Name: [3-(oxidanylcarbamoyl)naphthalen-2-yl] 4-but-2-ynoxybenzenesulfonate Openeye Name: [3-(hydroxycarbamoyl)-2-naphthyl] 4-but-2-ynoxybenzenesulfonate CAS Name: 4-but-2-ynoxybenzenesulfonic acid [3-[(hydroxyamino)-oxomethyl]-2-naphthalenyl] ester IUPAC Name: [3-(hydroxycarbamoyl)naphthalen-2-yl] 4-but-2-ynoxybenzenesulfonate Traditional Name: 4-but-2-ynoxybenzenesulfonic acid [3-(hydroxycarbamoyl)-2-naphthyl] ester Formula: C21H17NO6S MolecularWeight: 411.42778

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=CC=CC=C3C=C2C(=O)NO

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=CC=CC=C3C=C2C(=O)NO

InChI

InChI=1S/C21H17NO6S/c1-2-3-12-27-17-8-10-18(11-9-17)29(25,26)28-20-14-16-7-5-4-6-15(16)13-19(20)21(23)22-24/h4-11,13-14,24H,12H2,1H3,(H,22,23)