(2Z)-2-(4-methylphenyl)sulfonylimino-1-oxidanylidene-3-pyridin-1-ium-1-yl-phenanthren-4-olate

Systemtic Name: (2Z)-2-(4-methylphenyl)sulfonylimino-1-oxidanylidene-3-pyridin-1-ium-1-yl-phenanthren-4-olate Openeye Name: (2Z)-1-oxo-2-(p-tolylsulfonylimino)-3-pyridin-1-ium-1-yl-phenanthren-4-olate CAS Name: (2Z)-2-(4-methylphenyl)sulfonylimino-1-oxo-3-(1-pyridin-1-iumyl)-4-phenanthrenolate IUPAC Name: (2Z)-2-(4-methylphenyl)sulfonylimino-1-oxo-3-pyridin-1-ium-1-ylphenanthren-4-olate Traditional Name: (2Z)-1-keto-3-pyridin-1-ium-1-yl-2-tosylimino-phenanthren-4-olate Formula: C26H18N2O4S MolecularWeight: 454.49712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N=C2C(=C(C3=C(C2=O)C=CC4=CC=CC=C43)[O-])[N+]5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)/N=C\2/C(=C(C3=C(C2=O)C=CC4=CC=CC=C43)[O-])[N+]5=CC=CC=C5

InChI

InChI=1S/C26H18N2O4S/c1-17-9-12-19(13-10-17)33(31,32)27-23-24(28-15-5-2-6-16-28)26(30)22-20-8-4-3-7-18(20)11-14-21(22)25(23)29/h2-16H,1H3