5-[(E)-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethanoylhydrazinylidene]methyl]furan-2-sulfonate

Systemtic Name: 5-[(E)-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethanoylhydrazinylidene]methyl]furan-2-sulfonate Openeye Name: 5-[(E)-[[2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]acetyl]hydrazono]methyl]furan-2-sulfonate CAS Name: 5-[(E)-[[1-oxo-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethyl]hydrazinylidene]methyl]-2-furansulfonate IUPAC Name: 5-[(E)-[[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetyl]hydrazinylidene]methyl]furan-2-sulfonate Traditional Name: 5-[(E)-[[2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]acetyl]hydrazono]methyl]furan-2-sulfonate Formula: C21H27N2O6S- MolecularWeight: 435.51388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCC(=O)NN=CC2=CC=C(O2)S(=O)(=O)[O-]

Isomeric SMILES

CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCC(=O)N/N=C/C2=CC=C(O2)S(=O)(=O)[O-]

InChI

InChI=1S/C21H28N2O6S/c1-20(2,3)14-21(4,5)15-6-8-16(9-7-15)28-13-18(24)23-22-12-17-10-11-19(29-17)30(25,26)27/h6-12H,13-14H2,1-5H3,(H,23,24)(H,25,26,27)/p-1/b22-12+