5-methyl-1,3,7-triphenyl-pyrano[2,3-d]pyrimidin-1-ium-2,4-dione perchlorate

Systemtic Name: 5-methyl-1,3,7-triphenyl-pyrano[2,3-d]pyrimidin-1-ium-2,4-dione perchlorate Openeye Name: 5-methyl-1,3,7-triphenyl-pyrano[2,3-d]pyrimidin-1-ium-2,4-dione perchlorate CAS Name: 5-methyl-1,3,7-triphenylpyrano[2,3-d]pyrimidin-1-ium-2,4-dione perchlorate IUPAC Name: 5-methyl-1,3,7-triphenylpyrano[2,3-d]pyrimidin-1-ium-2,4-dione perchlorate Traditional Name: 5-methyl-1,3,7-triphenyl-pyrano[2,3-d]pyrimidin-1-ium-2,4-quinone perchlorate Formula: C26H19ClN2O7 MolecularWeight: 506.89126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=O)N(C(=O)[N+](=C2OC(=C1)C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=C2C(=O)N(C(=O)[N+](=C2OC(=C1)C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C26H19N2O3.ClHO4/c1-18-17-22(19-11-5-2-6-12-19)31-25-23(18)24(29)27(20-13-7-3-8-14-20)26(30)28(25)21-15-9-4-10-16-21;2-1(3,4)5/h2-17H,1H3;(H,2,3,4,5)/q+1;/p-1