[4-(4-chloranylphenoxy)phenyl] 2-(2-oxidanylidene-1,3,2-oxazaphosphinan-2-ium-3-yl)pentanoate

Systemtic Name: [4-(4-chloranylphenoxy)phenyl] 2-(2-oxidanylidene-1,3,2-oxazaphosphinan-2-ium-3-yl)pentanoate Openeye Name: [4-(4-chlorophenoxy)phenyl] 2-(2-oxo-1,3,2-oxazaphosphinan-2-ium-3-yl)pentanoate CAS Name: 2-(2-oxo-1,3,2-oxazaphosphorinan-2-ium-3-yl)pentanoic acid [4-(4-chlorophenoxy)phenyl] ester IUPAC Name: [4-(4-chlorophenoxy)phenyl] 2-(2-oxo-1,3,2-oxazaphosphinan-2-ium-3-yl)pentanoate Traditional Name: 2-(2-keto-1,3,2-oxazaphosphorinan-2-ium-3-yl)valeric acid [4-(4-chlorophenoxy)phenyl] ester Formula: C20H22ClNO5P+ MolecularWeight: 422.819141

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)OC1=CC=C(C=C1)OC2=CC=C(C=C2)Cl)N3CCCO[P+]3=O

Isomeric SMILES

CCCC(C(=O)OC1=CC=C(C=C1)OC2=CC=C(C=C2)Cl)N3CCCO[P+]3=O

InChI

InChI=1S/C20H22ClNO5P/c1-2-4-19(22-13-3-14-25-28(22)24)20(23)27-18-11-9-17(10-12-18)26-16-7-5-15(21)6-8-16/h5-12,19H,2-4,13-14H2,1H3/q+1