(E)-1-diazonio-4-(6,7-dibutoxynaphthalen-2-yl)sulfonyl-3,3-dimethyl-but-1-en-2-olate

Systemtic Name: (E)-1-diazonio-4-(6,7-dibutoxynaphthalen-2-yl)sulfonyl-3,3-dimethyl-but-1-en-2-olate Openeye Name: (E)-1-diazonio-4-[(6,7-dibutoxy-2-naphthyl)sulfonyl]-3,3-dimethyl-but-1-en-2-olate CAS Name: (E)-1-diazonio-4-[(6,7-dibutoxy-2-naphthalenyl)sulfonyl]-3,3-dimethyl-1-buten-2-olate IUPAC Name: (E)-1-diazonio-4-(6,7-dibutoxynaphthalen-2-yl)sulfonyl-3,3-dimethylbut-1-en-2-olate Traditional Name: (E)-1-diazonio-4-[(6,7-dibutoxy-2-naphthyl)sulfonyl]-3,3-dimethyl-but-1-en-2-olate Formula: C24H32N2O5S MolecularWeight: 460.58628

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C2C=C(C=CC2=C1)S(=O)(=O)CC(C)(C)C(=C[N+]#N)[O-])OCCCC

Isomeric SMILES

CCCCOC1=C(C=C2C=C(C=CC2=C1)S(=O)(=O)CC(C)(C)/C(=C\[N+]#N)/[O-])OCCCC

InChI

InChI=1S/C24H32N2O5S/c1-5-7-11-30-21-14-18-9-10-20(13-19(18)15-22(21)31-12-8-6-2)32(28,29)17-24(3,4)23(27)16-26-25/h9-10,13-16H,5-8,11-12,17H2,1-4H3/b23-16+