(3Z)-2-[3-(3-methylbutyl)imidazol-3-ium-1-yl]-3-(4-methylphenyl)sulfonylimino-4-oxidanylidene-naphthalen-1-olate

Systemtic Name: (3Z)-2-[3-(3-methylbutyl)imidazol-3-ium-1-yl]-3-(4-methylphenyl)sulfonylimino-4-oxidanylidene-naphthalen-1-olate Openeye Name: (3Z)-2-(3-isopentylimidazol-3-ium-1-yl)-4-oxo-3-(p-tolylsulfonylimino)naphthalen-1-olate CAS Name: (3Z)-2-[3-(3-methylbutyl)-1-imidazol-3-iumyl]-3-(4-methylphenyl)sulfonylimino-4-oxo-1-naphthalenolate IUPAC Name: (3Z)-2-[3-(3-methylbutyl)imidazol-3-ium-1-yl]-3-(4-methylphenyl)sulfonylimino-4-oxonaphthalen-1-olate Traditional Name: (3Z)-2-(3-isoamylimidazol-3-ium-1-yl)-4-keto-3-tosylimino-naphthalen-1-olate Formula: C25H25N3O4S MolecularWeight: 463.5487

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N=C2C(=C(C3=CC=CC=C3C2=O)[O-])N4C=C[N+](=C4)CCC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)/N=C\2/C(=C(C3=CC=CC=C3C2=O)[O-])N4C=C[N+](=C4)CCC(C)C

InChI

InChI=1S/C25H25N3O4S/c1-17(2)12-13-27-14-15-28(16-27)23-22(24(29)20-6-4-5-7-21(20)25(23)30)26-33(31,32)19-10-8-18(3)9-11-19/h4-11,14-17H,12-13H2,1-3H3