(E)-2-(5-tert-butyl-2-pentoxy-phenyl)sulfonyl-2-diazonio-1-naphthalen-2-yl-ethenolate

Systemtic Name: (E)-2-(5-tert-butyl-2-pentoxy-phenyl)sulfonyl-2-diazonio-1-naphthalen-2-yl-ethenolate Openeye Name: (E)-2-(5-tert-butyl-2-pentoxy-phenyl)sulfonyl-2-diazonio-1-(2-naphthyl)ethenolate CAS Name: (E)-2-(5-tert-butyl-2-pentoxyphenyl)sulfonyl-2-diazonio-1-(2-naphthalenyl)ethenolate IUPAC Name: (E)-2-(5-tert-butyl-2-pentoxyphenyl)sulfonyl-2-diazonio-1-naphthalen-2-ylethenolate Traditional Name: (E)-2-(2-amoxy-5-tert-butyl-phenyl)sulfonyl-2-diazonio-1-(2-naphthyl)ethenolate Formula: C27H30N2O4S MolecularWeight: 478.6031

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1)C(C)(C)C)S(=O)(=O)C(=C(C2=CC3=CC=CC=C3C=C2)[O-])[N+]#N

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1)C(C)(C)C)S(=O)(=O)/C(=C(\C2=CC3=CC=CC=C3C=C2)/[O-])/[N+]#N

InChI

InChI=1S/C27H30N2O4S/c1-5-6-9-16-33-23-15-14-22(27(2,3)4)18-24(23)34(31,32)26(29-28)25(30)21-13-12-19-10-7-8-11-20(19)17-21/h7-8,10-15,17-18H,5-6,9,16H2,1-4H3/b26-25+