2-(4-octylpyridin-1-ium-1-yl)-3,4-bis(oxidanylidene)naphthalen-1-olate

Systemtic Name: 2-(4-octylpyridin-1-ium-1-yl)-3,4-bis(oxidanylidene)naphthalen-1-olate Openeye Name: 2-(4-octylpyridin-1-ium-1-yl)-3,4-dioxo-naphthalen-1-olate CAS Name: 2-(4-octyl-1-pyridin-1-iumyl)-3,4-dioxo-1-naphthalenolate IUPAC Name: 2-(4-octylpyridin-1-ium-1-yl)-3,4-dioxonaphthalen-1-olate Traditional Name: 3,4-diketo-2-(4-octylpyridin-1-ium-1-yl)naphthalen-1-olate Formula: C23H25NO3 MolecularWeight: 363.4495

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=[N+](C=C1)C2=C(C3=CC=CC=C3C(=O)C2=O)[O-]

Isomeric SMILES

CCCCCCCCC1=CC=[N+](C=C1)C2=C(C3=CC=CC=C3C(=O)C2=O)[O-]

InChI

InChI=1S/C23H25NO3/c1-2-3-4-5-6-7-10-17-13-15-24(16-14-17)20-21(25)18-11-8-9-12-19(18)22(26)23(20)27/h8-9,11-16H,2-7,10H2,1H3