(Z)-2-diazonio-3-oxidanylidene-1-[(2R,4S)-4-(2-oxidanylphenoxy)pentan-2-yl]oxy-but-1-en-1-olate

Systemtic Name: (Z)-2-diazonio-3-oxidanylidene-1-[(2R,4S)-4-(2-oxidanylphenoxy)pentan-2-yl]oxy-but-1-en-1-olate Openeye Name: (Z)-2-diazonio-1-[(1R,3S)-3-(2-hydroxyphenoxy)-1-methyl-butoxy]-3-oxo-but-1-en-1-olate CAS Name: (Z)-2-diazonio-1-[(2R,4S)-4-(2-hydroxyphenoxy)pentan-2-yl]oxy-3-oxo-1-buten-1-olate IUPAC Name: (Z)-2-diazonio-1-[(2R,4S)-4-(2-hydroxyphenoxy)pentan-2-yl]oxy-3-oxobut-1-en-1-olate Traditional Name: (Z)-2-diazonio-1-[(1R,3S)-3-(2-hydroxyphenoxy)-1-methyl-butoxy]-3-keto-but-1-en-1-olate Formula: C15H18N2O5 MolecularWeight: 306.31382

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C)OC(=C(C(=O)C)[N+]#N)[O-])OC1=CC=CC=C1O

Isomeric SMILES

C[C@@H](C[C@@H](C)O/C(=C(/C(=O)C)\[N+]#N)/[O-])OC1=CC=CC=C1O

InChI

InChI=1S/C15H18N2O5/c1-9(21-13-7-5-4-6-12(13)19)8-10(2)22-15(20)14(17-16)11(3)18/h4-7,9-10H,8H2,1-3H3,(H-,18,19,20)/t9-,10+/m0/s1