1-[2,4,6-tris(4-methylphenyl)pyridin-1-ium-1-yl]naphthalen-2-olate

Systemtic Name: 1-[2,4,6-tris(4-methylphenyl)pyridin-1-ium-1-yl]naphthalen-2-olate Openeye Name: 1-[2,4,6-tris(p-tolyl)pyridin-1-ium-1-yl]naphthalen-2-olate CAS Name: 1-[2,4,6-tris(4-methylphenyl)-1-pyridin-1-iumyl]-2-naphthalenolate IUPAC Name: 1-[2,4,6-tris(4-methylphenyl)pyridin-1-ium-1-yl]naphthalen-2-olate Traditional Name: 1-[2,4,6-tris(p-tolyl)pyridin-1-ium-1-yl]naphthalen-2-olate Formula: C36H29NO MolecularWeight: 491.62156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=[N+](C(=C2)C3=CC=C(C=C3)C)C4=C(C=CC5=CC=CC=C54)[O-])C6=CC=C(C=C6)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=[N+](C(=C2)C3=CC=C(C=C3)C)C4=C(C=CC5=CC=CC=C54)[O-])C6=CC=C(C=C6)C

InChI

InChI=1S/C36H29NO/c1-24-8-14-27(15-9-24)31-22-33(29-16-10-25(2)11-17-29)37(34(23-31)30-18-12-26(3)13-19-30)36-32-7-5-4-6-28(32)20-21-35(36)38/h4-23H,1-3H3