(E)-2-diazonio-1-naphthalen-2-yl-2-(2,3,4-trihexoxyphenyl)sulfonyl-ethenolate

Systemtic Name: (E)-2-diazonio-1-naphthalen-2-yl-2-(2,3,4-trihexoxyphenyl)sulfonyl-ethenolate Openeye Name: (E)-2-diazonio-1-(2-naphthyl)-2-(2,3,4-trihexoxyphenyl)sulfonyl-ethenolate CAS Name: (E)-2-diazonio-1-(2-naphthalenyl)-2-(2,3,4-trihexoxyphenyl)sulfonylethenolate IUPAC Name: (E)-2-diazonio-1-naphthalen-2-yl-2-(2,3,4-trihexoxyphenyl)sulfonylethenolate Traditional Name: (E)-2-diazonio-1-(2-naphthyl)-2-(2,3,4-trihexoxyphenyl)sulfonyl-ethenolate Formula: C36H48N2O6S MolecularWeight: 636.84112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C(=C(C=C1)S(=O)(=O)C(=C(C2=CC3=CC=CC=C3C=C2)[O-])[N+]#N)OCCCCCC)OCCCCCC

Isomeric SMILES

CCCCCCOC1=C(C(=C(C=C1)S(=O)(=O)/C(=C(\C2=CC3=CC=CC=C3C=C2)/[O-])/[N+]#N)OCCCCCC)OCCCCCC

InChI

InChI=1S/C36H48N2O6S/c1-4-7-10-15-24-42-31-22-23-32(35(44-26-17-12-9-6-3)34(31)43-25-16-11-8-5-2)45(40,41)36(38-37)33(39)30-21-20-28-18-13-14-19-29(28)27-30/h13-14,18-23,27H,4-12,15-17,24-26H2,1-3H3/b36-33+