[1-[2-(2-carboxyethyl)phenoxy]-1-oxidanylidene-propan-2-yl]oxy-oxidanylidene-(4-phenylbutyl)phosphanium

Systemtic Name: [1-[2-(2-carboxyethyl)phenoxy]-1-oxidanylidene-propan-2-yl]oxy-oxidanylidene-(4-phenylbutyl)phosphanium Openeye Name: [2-[2-(2-carboxyethyl)phenoxy]-1-methyl-2-oxo-ethoxy]-oxo-(4-phenylbutyl)phosphonium CAS Name: [1-[2-(2-carboxyethyl)phenoxy]-1-oxopropan-2-yl]oxy-oxo-(4-phenylbutyl)phosphonium IUPAC Name: [1-[2-(2-carboxyethyl)phenoxy]-1-oxopropan-2-yl]oxy-oxo-(4-phenylbutyl)phosphanium Traditional Name: [2-[2-(2-carboxyethyl)phenoxy]-2-keto-1-methyl-ethoxy]-keto-(4-phenylbutyl)phosphonium Formula: C22H26O6P+ MolecularWeight: 417.412001

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC1=CC=CC=C1CCC(=O)O)O[P+](=O)CCCCC2=CC=CC=C2

Isomeric SMILES

CC(C(=O)OC1=CC=CC=C1CCC(=O)O)O[P+](=O)CCCCC2=CC=CC=C2

InChI

InChI=1S/C22H25O6P/c1-17(28-29(26)16-8-7-11-18-9-3-2-4-10-18)22(25)27-20-13-6-5-12-19(20)14-15-21(23)24/h2-6,9-10,12-13,17H,7-8,11,14-16H2,1H3/p+1