(E)-2,4-dideuterio-2-deuteriooxycarbonyl-5-phenyl-3-pyridin-1-ium-1-yl-pent-4-enoic acid

Systemtic Name: (E)-2,4-dideuterio-2-deuteriooxycarbonyl-5-phenyl-3-pyridin-1-ium-1-yl-pent-4-enoic acid Openeye Name: (E)-2,4-dideuterio-2-deuteriooxycarbonyl-5-phenyl-3-pyridin-1-ium-1-yl-pent-4-enoic acid CAS Name: (E)-2,4-dideuterio-2-[deuteriooxy(oxo)methyl]-5-phenyl-3-(1-pyridin-1-iumyl)-4-pentenoic acid IUPAC Name: (E)-2,4-dideuterio-2-deuteriooxycarbonyl-5-phenyl-3-pyridin-1-ium-1-ylpent-4-enoic acid Traditional Name: (E)-2,4-dideuterio-2-deuteriooxycarbonyl-5-phenyl-3-pyridin-1-ium-1-yl-pent-4-enoic acid Formula: C17H16NO4+ MolecularWeight: 301.331725

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CC(C(C(=O)O)C(=O)O)[N+]2=CC=CC=C2

Isomeric SMILES

[2H]/C(=C\C1=CC=CC=C1)/C(C([2H])(C(=O)O)C(=O)O[2H])[N+]2=CC=CC=C2

InChI

InChI=1S/C17H15NO4/c19-16(20)15(17(21)22)14(18-11-5-2-6-12-18)10-9-13-7-3-1-4-8-13/h1-12,14-15H,(H-,19,20,21,22)/p+1/b10-9+/i10D,15D/hD