tris[1-(2-tert-butylphenyl)butyl] phosphate

Systemtic Name: tris[1-(2-tert-butylphenyl)butyl] phosphate Openeye Name: tris[1-(2-tert-butylphenyl)butyl] phosphate CAS Name: phosphoric acid tris[1-(2-tert-butylphenyl)butyl] ester IUPAC Name: tris[1-(2-tert-butylphenyl)butyl] phosphate Traditional Name: phosphoric acid tris[1-(2-tert-butylphenyl)butyl] ester Formula: C42H63O4P MolecularWeight: 662.920981

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C42H63O4P/c1-13-22-37(31-25-16-19-28-34(31)40(4,5)6)44-47(43,45-38(23-14-2)32-26-17-20-29-35(32)41(7,8)9)46-39(24-15-3)33-27-18-21-30-36(33)42(10,11)12/h16-21,25-30,37-39H,13-15,22-24H2,1-12H3