dihydrogen phosphate; 5,7-dimethyl-1,3-diphenyl-pyrano[2,3-d]pyrimidin-1-ium-2,4-dione

Systemtic Name: dihydrogen phosphate; 5,7-dimethyl-1,3-diphenyl-pyrano[2,3-d]pyrimidin-1-ium-2,4-dione Openeye Name: dihydrogen phosphate; 5,7-dimethyl-1,3-diphenyl-pyrano[2,3-d]pyrimidin-1-ium-2,4-dione CAS Name: dihydrogen phosphate; 5,7-dimethyl-1,3-diphenylpyrano[2,3-d]pyrimidin-1-ium-2,4-dione IUPAC Name: dihydrogen phosphate; 5,7-dimethyl-1,3-diphenylpyrano[2,3-d]pyrimidin-1-ium-2,4-dione Traditional Name: dihydrogen phosphate; 5,7-dimethyl-1,3-diphenyl-pyrano[2,3-d]pyrimidin-1-ium-2,4-quinone Formula: C21H19N2O7P MolecularWeight: 442.358521

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=O)N(C(=O)[N+](=C2O1)C3=CC=CC=C3)C4=CC=CC=C4)C.OP(=O)(O)[O-]

Isomeric SMILES

CC1=CC(=C2C(=O)N(C(=O)[N+](=C2O1)C3=CC=CC=C3)C4=CC=CC=C4)C.OP(=O)(O)[O-]

InChI

InChI=1S/C21H17N2O3.H3O4P/c1-14-13-15(2)26-20-18(14)19(24)22(16-9-5-3-6-10-16)21(25)23(20)17-11-7-4-8-12-17;1-5(2,3)4/h3-13H,1-2H3;(H3,1,2,3,4)/q+1;/p-1