tris[4-nonyl-2-(2,4,4-trimethylpentan-2-yl)phenyl] phosphite

Systemtic Name: tris[4-nonyl-2-(2,4,4-trimethylpentan-2-yl)phenyl] phosphite Openeye Name: tris[4-nonyl-2-(1,1,3,3-tetramethylbutyl)phenyl] phosphite CAS Name: phosphorous acid tris[4-nonyl-2-(2,4,4-trimethylpentan-2-yl)phenyl] ester IUPAC Name: tris[4-nonyl-2-(2,4,4-trimethylpentan-2-yl)phenyl] phosphite Traditional Name: phosphorous acid tris[4-nonyl-2-(1,1,3,3-tetramethylbutyl)phenyl] ester Formula: C69H117O3P MolecularWeight: 1025.639241

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC(=C(C=C1)OP(OC2=C(C=C(C=C2)CCCCCCCCC)C(C)(C)CC(C)(C)C)OC3=C(C=C(C=C3)CCCCCCCCC)C(C)(C)CC(C)(C)C)C(C)(C)CC(C)(C)C

Isomeric SMILES

CCCCCCCCCC1=CC(=C(C=C1)OP(OC2=C(C=C(C=C2)CCCCCCCCC)C(C)(C)CC(C)(C)C)OC3=C(C=C(C=C3)CCCCCCCCC)C(C)(C)CC(C)(C)C)C(C)(C)CC(C)(C)C

InChI

InChI=1S/C69H117O3P/c1-19-22-25-28-31-34-37-40-55-43-46-61(58(49-55)67(13,14)52-64(4,5)6)70-73(71-62-47-44-56(41-38-35-32-29-26-23-20-2)50-59(62)68(15,16)53-65(7,8)9)72-63-48-45-57(42-39-36-33-30-27-24-21-3)51-60(63)69(17,18)54-66(10,11)12/h43-51H,19-42,52-54H2,1-18H3