(E)-2-diazonio-2-(4,5-dihexoxy-2-methyl-phenyl)sulfonyl-1-naphthalen-2-yl-ethenolate

Systemtic Name: (E)-2-diazonio-2-(4,5-dihexoxy-2-methyl-phenyl)sulfonyl-1-naphthalen-2-yl-ethenolate Openeye Name: (E)-2-diazonio-2-(4,5-dihexoxy-2-methyl-phenyl)sulfonyl-1-(2-naphthyl)ethenolate CAS Name: (E)-2-diazonio-2-(4,5-dihexoxy-2-methylphenyl)sulfonyl-1-(2-naphthalenyl)ethenolate IUPAC Name: (E)-2-diazonio-2-(4,5-dihexoxy-2-methylphenyl)sulfonyl-1-naphthalen-2-ylethenolate Traditional Name: (E)-2-diazonio-2-(4,5-dihexoxy-2-methyl-phenyl)sulfonyl-1-(2-naphthyl)ethenolate Formula: C31H38N2O5S MolecularWeight: 550.70882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H38N2O5S/c1-4-6-8-12-18-37-27-20-23(3)29(22-28(27)38-19-13-9-7-5-2)39(35,36)31(33-32)30(34)26-17-16-24-14-10-11-15-25(24)21-26/h10-11,14-17,20-22H,4-9,12-13,18-19H2,1-3H3/b31-30+