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

Systemtic Name: (E)-1-diazonio-1-(6-hexoxynaphthalen-2-yl)sulfonyl-3,3-dimethyl-but-1-en-2-olate Openeye Name: (E)-1-diazonio-1-[(6-hexoxy-2-naphthyl)sulfonyl]-3,3-dimethyl-but-1-en-2-olate CAS Name: (E)-1-diazonio-1-[(6-hexoxy-2-naphthalenyl)sulfonyl]-3,3-dimethyl-1-buten-2-olate IUPAC Name: (E)-1-diazonio-1-(6-hexoxynaphthalen-2-yl)sulfonyl-3,3-dimethylbut-1-en-2-olate Traditional Name: (E)-1-diazonio-1-[(6-hexoxy-2-naphthyl)sulfonyl]-3,3-dimethyl-but-1-en-2-olate Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC2=C(C=C1)C=C(C=C2)S(=O)(=O)C(=C(C(C)(C)C)[O-])[N+]#N

Isomeric SMILES

CCCCCCOC1=CC2=C(C=C1)C=C(C=C2)S(=O)(=O)/C(=C(\C(C)(C)C)/[O-])/[N+]#N

InChI

InChI=1S/C22H28N2O4S/c1-5-6-7-8-13-28-18-11-9-17-15-19(12-10-16(17)14-18)29(26,27)21(24-23)20(25)22(2,3)4/h9-12,14-15H,5-8,13H2,1-4H3/b21-20+