tris[2,4-bis(2-methylheptan-2-yl)phenyl] phosphite

Systemtic Name: tris[2,4-bis(2-methylheptan-2-yl)phenyl] phosphite Openeye Name: tris[2,4-bis(1,1-dimethylhexyl)phenyl] phosphite CAS Name: phosphorous acid tris[2,4-bis(2-methylheptan-2-yl)phenyl] ester IUPAC Name: tris[2,4-bis(2-methylheptan-2-yl)phenyl] phosphite Traditional Name: phosphorous acid tris[2,4-bis(1,1-dimethylhexyl)phenyl] ester Formula: C66H111O3P MolecularWeight: 983.559501

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)(C)C1=CC(=C(C=C1)OP(OC2=C(C=C(C=C2)C(C)(C)CCCCC)C(C)(C)CCCCC)OC3=C(C=C(C=C3)C(C)(C)CCCCC)C(C)(C)CCCCC)C(C)(C)CCCCC

Isomeric SMILES

CCCCCC(C)(C)C1=CC(=C(C=C1)OP(OC2=C(C=C(C=C2)C(C)(C)CCCCC)C(C)(C)CCCCC)OC3=C(C=C(C=C3)C(C)(C)CCCCC)C(C)(C)CCCCC)C(C)(C)CCCCC

InChI

InChI=1S/C66H111O3P/c1-19-25-31-43-61(7,8)52-37-40-58(55(49-52)64(13,14)46-34-28-22-4)67-70(68-59-41-38-53(62(9,10)44-32-26-20-2)50-56(59)65(15,16)47-35-29-23-5)69-60-42-39-54(63(11,12)45-33-27-21-3)51-57(60)66(17,18)48-36-30-24-6/h37-42,49-51H,19-36,43-48H2,1-18H3