1-bis(4-methoxyphenoxy)phosphoryl-3-chloranyl-pyridin-1-ium; 4-nitrophenolate

Systemtic Name: 1-bis(4-methoxyphenoxy)phosphoryl-3-chloranyl-pyridin-1-ium; 4-nitrophenolate Openeye Name: 1-bis(4-methoxyphenoxy)phosphoryl-3-chloro-pyridin-1-ium; 4-nitrophenolate CAS Name: 1-bis(4-methoxyphenoxy)phosphoryl-3-chloropyridin-1-ium; 4-nitrophenolate IUPAC Name: 1-bis(4-methoxyphenoxy)phosphoryl-3-chloropyridin-1-ium; 4-nitrophenolate Traditional Name: 1-bis(4-methoxyphenoxy)phosphoryl-3-chloro-pyridin-1-ium; 4-nitrophenolate Formula: C25H22ClN2O8P MolecularWeight: 544.877541

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OP(=O)([N+]2=CC=CC(=C2)Cl)OC3=CC=C(C=C3)OC.C1=CC(=CC=C1[N+](=O)[O-])[O-]

Isomeric SMILES

COC1=CC=C(C=C1)OP(=O)([N+]2=CC=CC(=C2)Cl)OC3=CC=C(C=C3)OC.C1=CC(=CC=C1[N+](=O)[O-])[O-]

InChI

InChI=1S/C19H18ClNO5P.C6H5NO3/c1-23-16-5-9-18(10-6-16)25-27(22,21-13-3-4-15(20)14-21)26-19-11-7-17(24-2)8-12-19;8-6-3-1-5(2-4-6)7(9)10/h3-14H,1-2H3;1-4,8H/q+1;/p-1