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Reference substance information

IUPAC name:
Mixture of mono(2,4-di-isopropylphenyl) di(2-isopropylphenyl) phosphate and mono(2,6-di-isopropylphenyl) di(2-isopropylphenyl) phosphate

Related substances

Identifiers of related substances
Identifier:
CAS number
Identity:
68937-41-7

Molecular and structural information

Molecular formula:
C33H45O4P
Molecular weight:
536.681
SMILES notation:
Variable, dependant on isomer:

2,4 derivative: C1=CC=C(C(=C1)C(C)C)OP(OC(C=CC1C(C)C)=C(C=1)C(C)C)(OC(C=CC1C(C)C)=C(C=1)C(C)C)=O
2,6 derivative: C1C=C(C(=CC=1)C(C)C)OP(OC(=C(C=C1)C(C)C)C(=C1)C(C)C)(OC(=C(C=C1)C(C)C)C(=C1)C(C)C)=O
InChl:
Variable, dependant on isomer:

2,4 derivative: InChI=1S/C33H45O4P/c1-21(2)26-15-17-32(29(19-26)24(7)8)36-38(34,35-31-14-12-11-13-28(31)23(5)6)37-33-18-16-27(22(3)4)20-30(33)25(9)10/h11-25H,1-10H3
2,6 derivative: InChI=1S/C33H45O4P/c1-21(2)26-15-11-12-20-31(26)35-38(34,36-32-27(22(3)4)16-13-17-28(32)23(5)6)37-33-29(24(7)8)18-14-19-30(33)25(9)10/h11-25H,1-10H3
Structural formula:
Chemical structure