(3E)-3-(4-nitrophenyl)sulfonylimino-4-oxidanylidene-2-[3-(phenylmethyl)pyridin-1-ium-1-yl]naphthalen-1-olate

Systemtic Name: (3E)-3-(4-nitrophenyl)sulfonylimino-4-oxidanylidene-2-[3-(phenylmethyl)pyridin-1-ium-1-yl]naphthalen-1-olate Openeye Name: (3E)-2-(3-benzylpyridin-1-ium-1-yl)-3-(4-nitrophenyl)sulfonylimino-4-oxo-naphthalen-1-olate CAS Name: (3E)-3-(4-nitrophenyl)sulfonylimino-4-oxo-2-[3-(phenylmethyl)-1-pyridin-1-iumyl]-1-naphthalenolate IUPAC Name: (3E)-2-(3-benzylpyridin-1-ium-1-yl)-3-(4-nitrophenyl)sulfonylimino-4-oxonaphthalen-1-olate Traditional Name: (3E)-2-(3-benzylpyridin-1-ium-1-yl)-4-keto-3-nosylimino-naphthalen-1-olate Formula: C28H19N3O6S MolecularWeight: 525.53196

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C[N+](=CC=C2)C3=C(C4=CC=CC=C4C(=O)C3=NS(=O)(=O)C5=CC=C(C=C5)[N+](=O)[O-])[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC2=C[N+](=CC=C2)C\3=C(C4=CC=CC=C4C(=O)/C3=N/S(=O)(=O)C5=CC=C(C=C5)[N+](=O)[O-])[O-]

InChI

InChI=1S/C28H19N3O6S/c32-27-23-10-4-5-11-24(23)28(33)26(30-16-6-9-20(18-30)17-19-7-2-1-3-8-19)25(27)29-38(36,37)22-14-12-21(13-15-22)31(34)35/h1-16,18H,17H2