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

Systemtic Name: (3Z)-3-(4-bromophenyl)sulfonylimino-4-oxidanylidene-2-[4-(phenylmethyl)pyridin-1-ium-1-yl]naphthalen-1-olate Openeye Name: (3Z)-2-(4-benzylpyridin-1-ium-1-yl)-3-(4-bromophenyl)sulfonylimino-4-oxo-naphthalen-1-olate CAS Name: (3Z)-3-(4-bromophenyl)sulfonylimino-4-oxo-2-[4-(phenylmethyl)-1-pyridin-1-iumyl]-1-naphthalenolate IUPAC Name: (3Z)-2-(4-benzylpyridin-1-ium-1-yl)-3-(4-bromophenyl)sulfonylimino-4-oxonaphthalen-1-olate Traditional Name: (3Z)-2-(4-benzylpyridin-1-ium-1-yl)-3-brosylimino-4-keto-naphthalen-1-olate Formula: C28H19BrN2O4S MolecularWeight: 559.43046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H19BrN2O4S/c29-21-10-12-22(13-11-21)36(34,35)30-25-26(28(33)24-9-5-4-8-23(24)27(25)32)31-16-14-20(15-17-31)18-19-6-2-1-3-7-19/h1-17H,18H2