naphthalen-2-yl 4-but-2-ynoxy-3-(oxidanylcarbamoyl)benzenesulfonate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=C(C=C(C=C1)S(=O)(=O)OC2=CC3=CC=CC=C3C=C2)C(=O)NO

Isomeric SMILES

CC#CCOC1=C(C=C(C=C1)S(=O)(=O)OC2=CC3=CC=CC=C3C=C2)C(=O)NO

InChI

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