(3E)-3-(4-methylphenyl)sulfonylimino-4-oxidanylidene-2-(3-prop-2-enylbenzimidazol-3-ium-1-yl)naphthalen-1-olate

Systemtic Name: (3E)-3-(4-methylphenyl)sulfonylimino-4-oxidanylidene-2-(3-prop-2-enylbenzimidazol-3-ium-1-yl)naphthalen-1-olate Openeye Name: (3E)-2-(3-allylbenzimidazol-3-ium-1-yl)-4-oxo-3-(p-tolylsulfonylimino)naphthalen-1-olate CAS Name: (3E)-3-(4-methylphenyl)sulfonylimino-4-oxo-2-(3-prop-2-enyl-1-benzimidazol-3-iumyl)-1-naphthalenolate IUPAC Name: (3E)-3-(4-methylphenyl)sulfonylimino-4-oxo-2-(3-prop-2-enylbenzimidazol-3-ium-1-yl)naphthalen-1-olate Traditional Name: (3E)-2-(3-allylbenzimidazol-3-ium-1-yl)-4-keto-3-tosylimino-naphthalen-1-olate Formula: C27H21N3O4S MolecularWeight: 483.53834

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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=[N+](C5=CC=CC=C54)CC=C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)/N=C/2\C(=C(C3=CC=CC=C3C2=O)[O-])N4C=[N+](C5=CC=CC=C54)CC=C

InChI

InChI=1S/C27H21N3O4S/c1-3-16-29-17-30(23-11-7-6-10-22(23)29)25-24(26(31)20-8-4-5-9-21(20)27(25)32)28-35(33,34)19-14-12-18(2)13-15-19/h3-15,17H,1,16H2,2H3