(E)-2-diazonio-2-(3,4-dipentoxyphenyl)sulfonyl-1-phenyl-ethenolate

Systemtic Name: (E)-2-diazonio-2-(3,4-dipentoxyphenyl)sulfonyl-1-phenyl-ethenolate Openeye Name: (E)-2-diazonio-2-(3,4-dipentoxyphenyl)sulfonyl-1-phenyl-ethenolate CAS Name: (E)-2-diazonio-2-(3,4-dipentoxyphenyl)sulfonyl-1-phenylethenolate IUPAC Name: (E)-2-diazonio-2-(3,4-dipentoxyphenyl)sulfonyl-1-phenylethenolate Traditional Name: (E)-2-(3,4-diamoxyphenyl)sulfonyl-2-diazonio-1-phenyl-ethenolate Formula: C24H30N2O5S MolecularWeight: 458.5704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N2O5S/c1-3-5-10-16-30-21-15-14-20(18-22(21)31-17-11-6-4-2)32(28,29)24(26-25)23(27)19-12-8-7-9-13-19/h7-9,12-15,18H,3-6,10-11,16-17H2,1-2H3/b24-23+