octadecyl 2-[2-tert-butyl-3-[[2-tert-butyl-3-(1-octadecoxy-1-oxidanylidene-propan-2-yl)phenoxy]-chloranyloxy-phosphanyl]oxy-phenyl]propanoate

Systemtic Name: octadecyl 2-[2-tert-butyl-3-[[2-tert-butyl-3-(1-octadecoxy-1-oxidanylidene-propan-2-yl)phenoxy]-chloranyloxy-phosphanyl]oxy-phenyl]propanoate Openeye Name: octadecyl 2-[2-tert-butyl-3-[[2-tert-butyl-3-(1-methyl-2-octadecoxy-2-oxo-ethyl)phenoxy]-chlorooxy-phosphanyl]oxy-phenyl]propanoate CAS Name: 2-[2-tert-butyl-3-[[2-tert-butyl-3-(1-octadecoxy-1-oxopropan-2-yl)phenoxy]-chlorooxyphosphino]oxyphenyl]propanoic acid octadecyl ester IUPAC Name: octadecyl 2-[2-tert-butyl-3-[[2-tert-butyl-3-(1-octadecoxy-1-oxopropan-2-yl)phenoxy]-chlorooxyphosphanyl]oxyphenyl]propanoate Traditional Name: 2-[2-tert-butyl-3-[[2-tert-butyl-3-(2-keto-1-methyl-2-stearyloxy-ethyl)phenoxy]-chlorooxy-phosphino]oxy-phenyl]propionic acid stearyl ester Formula: C62H106ClO7P MolecularWeight: 1029.927601

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)C(C)C1=C(C(=CC=C1)OP(OC2=CC=CC(=C2C(C)(C)C)C(C)C(=O)OCCCCCCCCCCCCCCCCCC)OCl)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)C(C)C1=C(C(=CC=C1)OP(OC2=CC=CC(=C2C(C)(C)C)C(C)C(=O)OCCCCCCCCCCCCCCCCCC)OCl)C(C)(C)C

InChI

InChI=1S/C62H106ClO7P/c1-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-49-66-59(64)51(3)53-45-43-47-55(57(53)61(5,6)7)68-71(70-63)69-56-48-44-46-54(58(56)62(8,9)10)52(4)60(65)67-50-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-2/h43-48,51-52H,11-42,49-50H2,1-10H3