4-(2,4,6-triphenylpyridin-1-ium-1-yl)phenolate hydrate

Systemtic Name: 4-(2,4,6-triphenylpyridin-1-ium-1-yl)phenolate hydrate Openeye Name: 4-(2,4,6-triphenylpyridin-1-ium-1-yl)phenolate hydrate CAS Name: 4-(2,4,6-triphenyl-1-pyridin-1-iumyl)phenolate hydrate IUPAC Name: 4-(2,4,6-triphenylpyridin-1-ium-1-yl)phenolate hydrate Traditional Name: 4-(2,4,6-triphenylpyridin-1-ium-1-yl)phenolate hydrate Formula: C29H23NO2 MolecularWeight: 417.49842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H21NO.H2O/c31-27-18-16-26(17-19-27)30-28(23-12-6-2-7-13-23)20-25(22-10-4-1-5-11-22)21-29(30)24-14-8-3-9-15-24;/h1-21H;1H2