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

Systemtic Name: (3Z)-3-(4-methylphenyl)sulfonylimino-4-oxidanylidene-2-pyridin-1-ium-1-yl-anthracen-1-olate Openeye Name: (3Z)-4-oxo-3-(p-tolylsulfonylimino)-2-pyridin-1-ium-1-yl-anthracen-1-olate CAS Name: (3Z)-3-(4-methylphenyl)sulfonylimino-4-oxo-2-(1-pyridin-1-iumyl)-1-anthracenolate IUPAC Name: (3Z)-3-(4-methylphenyl)sulfonylimino-4-oxo-2-pyridin-1-ium-1-ylanthracen-1-olate Traditional Name: (3Z)-4-keto-2-pyridin-1-ium-1-yl-3-tosylimino-anthracen-1-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=CC4=CC=CC=C4C=C3C2=O)[O-])[N+]5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)/N=C\2/C(=C(C3=CC4=CC=CC=C4C=C3C2=O)[O-])[N+]5=CC=CC=C5

InChI

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