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

Systemtic Name: (E)-2-diazonio-2-(2,4-dihexoxyphenyl)sulfonyl-1-naphthalen-2-yl-ethenolate Openeye Name: (E)-2-diazonio-2-(2,4-dihexoxyphenyl)sulfonyl-1-(2-naphthyl)ethenolate CAS Name: (E)-2-diazonio-2-(2,4-dihexoxyphenyl)sulfonyl-1-(2-naphthalenyl)ethenolate IUPAC Name: (E)-2-diazonio-2-(2,4-dihexoxyphenyl)sulfonyl-1-naphthalen-2-ylethenolate Traditional Name: (E)-2-diazonio-2-(2,4-dihexoxyphenyl)sulfonyl-1-(2-naphthyl)ethenolate Formula: C30H36N2O5S MolecularWeight: 536.68224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H36N2O5S/c1-3-5-7-11-19-36-26-17-18-28(27(22-26)37-20-12-8-6-4-2)38(34,35)30(32-31)29(33)25-16-15-23-13-9-10-14-24(23)21-25/h9-10,13-18,21-22H,3-8,11-12,19-20H2,1-2H3/b30-29+