(E)-2-(6-butoxynaphthalen-2-yl)sulfonyl-2-diazonio-1-naphthalen-1-yl-ethenolate

Systemtic Name: (E)-2-(6-butoxynaphthalen-2-yl)sulfonyl-2-diazonio-1-naphthalen-1-yl-ethenolate Openeye Name: (E)-2-[(6-butoxy-2-naphthyl)sulfonyl]-2-diazonio-1-(1-naphthyl)ethenolate CAS Name: (E)-2-[(6-butoxy-2-naphthalenyl)sulfonyl]-2-diazonio-1-(1-naphthalenyl)ethenolate IUPAC Name: (E)-2-(6-butoxynaphthalen-2-yl)sulfonyl-2-diazonio-1-naphthalen-1-ylethenolate Traditional Name: (E)-2-[(6-butoxy-2-naphthyl)sulfonyl]-2-diazonio-1-(1-naphthyl)ethenolate Formula: C26H22N2O4S MolecularWeight: 458.52888

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC2=C(C=C1)C=C(C=C2)S(=O)(=O)C(=C(C3=CC=CC4=CC=CC=C43)[O-])[N+]#N

Isomeric SMILES

CCCCOC1=CC2=C(C=C1)C=C(C=C2)S(=O)(=O)/C(=C(\C3=CC=CC4=CC=CC=C43)/[O-])/[N+]#N

InChI

InChI=1S/C26H22N2O4S/c1-2-3-15-32-21-13-11-20-17-22(14-12-19(20)16-21)33(30,31)26(28-27)25(29)24-10-6-8-18-7-4-5-9-23(18)24/h4-14,16-17H,2-3,15H2,1H3/b26-25+