(E)-1-diazonio-3,3-dimethyl-1-(2,3,4-tributoxyphenyl)sulfonyl-but-1-en-2-olate

Systemtic Name: (E)-1-diazonio-3,3-dimethyl-1-(2,3,4-tributoxyphenyl)sulfonyl-but-1-en-2-olate Openeye Name: (E)-1-diazonio-3,3-dimethyl-1-(2,3,4-tributoxyphenyl)sulfonyl-but-1-en-2-olate CAS Name: (E)-1-diazonio-3,3-dimethyl-1-(2,3,4-tributoxyphenyl)sulfonyl-1-buten-2-olate IUPAC Name: (E)-1-diazonio-3,3-dimethyl-1-(2,3,4-tributoxyphenyl)sulfonylbut-1-en-2-olate Traditional Name: (E)-1-diazonio-3,3-dimethyl-1-(2,3,4-tributoxyphenyl)sulfonyl-but-1-en-2-olate Formula: C24H38N2O6S MolecularWeight: 482.63332

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C(=C(C=C1)S(=O)(=O)C(=C(C(C)(C)C)[O-])[N+]#N)OCCCC)OCCCC

Isomeric SMILES

CCCCOC1=C(C(=C(C=C1)S(=O)(=O)/C(=C(\C(C)(C)C)/[O-])/[N+]#N)OCCCC)OCCCC

InChI

InChI=1S/C24H38N2O6S/c1-7-10-15-30-18-13-14-19(33(28,29)23(26-25)22(27)24(4,5)6)21(32-17-12-9-3)20(18)31-16-11-8-2/h13-14H,7-12,15-17H2,1-6H3/b23-22+