tris[1-[2-(2,4,4-trimethylpentan-2-yl)phenyl]butyl] phosphate

Systemtic Name: tris[1-[2-(2,4,4-trimethylpentan-2-yl)phenyl]butyl] phosphate Openeye Name: tris[1-[2-(1,1,3,3-tetramethylbutyl)phenyl]butyl] phosphate CAS Name: phosphoric acid tris[1-[2-(2,4,4-trimethylpentan-2-yl)phenyl]butyl] ester IUPAC Name: tris[1-[2-(2,4,4-trimethylpentan-2-yl)phenyl]butyl] phosphate Traditional Name: phosphoric acid tris[1-[2-(1,1,3,3-tetramethylbutyl)phenyl]butyl] ester Formula: C54H87O4P MolecularWeight: 831.239941

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1C(C)(C)CC(C)(C)C)OP(=O)(OC(CCC)C2=CC=CC=C2C(C)(C)CC(C)(C)C)OC(CCC)C3=CC=CC=C3C(C)(C)CC(C)(C)C

Isomeric SMILES

CCCC(C1=CC=CC=C1C(C)(C)CC(C)(C)C)OP(=O)(OC(CCC)C2=CC=CC=C2C(C)(C)CC(C)(C)C)OC(CCC)C3=CC=CC=C3C(C)(C)CC(C)(C)C

InChI

InChI=1S/C54H87O4P/c1-19-28-46(40-31-22-25-34-43(40)52(13,14)37-49(4,5)6)56-59(55,57-47(29-20-2)41-32-23-26-35-44(41)53(15,16)38-50(7,8)9)58-48(30-21-3)42-33-24-27-36-45(42)54(17,18)39-51(10,11)12/h22-27,31-36,46-48H,19-21,28-30,37-39H2,1-18H3