(3Z)-2-isoquinolin-2-ium-2-yl-3-(4-methylphenyl)sulfonylimino-4-oxidanylidene-naphthalen-1-olate

Systemtic Name: (3Z)-2-isoquinolin-2-ium-2-yl-3-(4-methylphenyl)sulfonylimino-4-oxidanylidene-naphthalen-1-olate Openeye Name: (3Z)-2-isoquinolin-2-ium-2-yl-4-oxo-3-(p-tolylsulfonylimino)naphthalen-1-olate CAS Name: (3Z)-2-(2-isoquinolin-2-iumyl)-3-(4-methylphenyl)sulfonylimino-4-oxo-1-naphthalenolate IUPAC Name: (3Z)-2-isoquinolin-2-ium-2-yl-3-(4-methylphenyl)sulfonylimino-4-oxonaphthalen-1-olate Traditional Name: (3Z)-2-isoquinolin-2-ium-2-yl-4-keto-3-tosylimino-naphthalen-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=CC=CC=C3C2=O)[O-])[N+]4=CC5=CC=CC=C5C=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)/N=C\2/C(=C(C3=CC=CC=C3C2=O)[O-])[N+]4=CC5=CC=CC=C5C=C4

InChI

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