[2,4-di(propan-2-yl)phenyl] 4-but-2-ynoxy-2-(oxidanylcarbamoyl)benzenesulfonate

Systemtic Name: [2,4-di(propan-2-yl)phenyl] 4-but-2-ynoxy-2-(oxidanylcarbamoyl)benzenesulfonate Openeye Name: (2,4-diisopropylphenyl) 4-but-2-ynoxy-2-(hydroxycarbamoyl)benzenesulfonate CAS Name: 4-but-2-ynoxy-2-[(hydroxyamino)-oxomethyl]benzenesulfonic acid [2,4-di(propan-2-yl)phenyl] ester IUPAC Name: [2,4-di(propan-2-yl)phenyl] 4-but-2-ynoxy-2-(hydroxycarbamoyl)benzenesulfonate Traditional Name: 4-but-2-ynoxy-2-(hydroxycarbamoyl)benzenesulfonic acid (2,4-diisopropylphenyl) ester Formula: C23H27NO6S MolecularWeight: 445.52858

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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)C)C(C)C)C(=O)NO

Isomeric SMILES

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

InChI

InChI=1S/C23H27NO6S/c1-6-7-12-29-18-9-11-22(20(14-18)23(25)24-26)31(27,28)30-21-10-8-17(15(2)3)13-19(21)16(4)5/h8-11,13-16,26H,12H2,1-5H3,(H,24,25)