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Reference substances

Currently viewing:
IUPAC name:
3,9-bis(2,4-di-tert-butylphenoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane

Inventory

EC number:
247-952-5
EC name:
3,9-bis(2,4-di-tert-butylphenoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
CAS number:
26741-53-7
CAS number:
26741-53-7
Synonyms
Names:
2,4,8,10-Tetraoxa-3,9-diphosphaspiro[5.5]undecane, 3,9-bis[2,4-bis(1,1-dimethylethyl)phenoxy]-
Identifier:
IUPAC name
3,9-bis(2,4-di-tert-butylphenoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
Identifier:
other: SMILES notation
CC(C)(C)C1=CC(=C(OP2OCC3(CO2)COP(OC2=C(C=C(C=C2)C(C)(C)C)C(C)(C)C)OC3)C=C1)C(C)(C)C
Identifier:
other: InChl
InChI=1S/C33H50O6P2/c1-29(2,3)23-13-15-27(25(17-23)31(7,8)9)38-40-34-19-33(20-35-40)21-36-41(37-22-33)39-28-16-14-24(30(4,5)6)18-26(28)32(10,11)12/h13-18H,19-22H2,1-12H3 AuxInfo=1/0/N:24,25,26,39,40,41,20,21,22,35,36,37,17,32,15,30,16,31,1,5,7,11,18,33,14,29,13,28,23,38,19,34,6,2,4,8,10,12,27,3,9/E:(1,2,3,4,5,6)(7,8,9,10,11,12)(13,14)(15,16)(17,18)(19,20,21,22)(23,24)(25,26)(27,28)(29,30)(31,32)(34,35,36,37)(38,39)(40,41)/rA:41COPOCCCOPOCOCCCCCCCCCCCCCCOCCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s1s5;s6;s7;s8;s9;s6s10;s3;s12;d+13;s13;s14;d-15;d-16s17;s14;s19;s19;s19;s18;s23;s23;s23;s9;s27;d+28;s28;s29;d-30;d-31s32;s29;s34;s34;s34;s33;s38;s38;s38;/rC:11.4106,-7.7907,0;12.1975,-9.1284,0;11.4106,-10.3875,0;9.8367,-10.3875,0;9.0498,-9.1284,0;9.8367,-7.7907,0;8.4202,-7.9481,0;7.6333,-6.6102,0;8.4202,-5.3511,0;9.9153,-5.3511,0;10.781,-6.6102,0;12.1975,-11.7253,0;13.6926,-11.804,0;14.4795,-13.0631,0;14.4795,-10.4662,0;15.9748,-13.0631,0;15.9748,-10.4662,0;16.7617,-11.804,0;13.7714,-14.4009,0;12.3549,-13.614,0;12.9844,-15.7386,0;15.0305,-15.1878,0;18.3356,-11.804,0;18.2568,-13.3778,0;19.8307,-11.804,0;18.3356,-10.3089,0;7.6333,-4.0134,0;6.0594,-4.0134,0;5.2725,-2.6756,0;5.3511,-5.3511,0;3.7773,-2.6756,0;3.7773,-5.3511,0;3.0691,-4.0134,0;6.0594,-1.3378,0;7.3972,-2.1248,0;6.8464,0,0;4.7216,-.5509,0;1.4952,-4.0134,0;1.4952,-2.4395,0;0,-4.0134,0;1.4952,-5.5085,0;
3,9-bis(2,4-di-tert-butylphenoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane

Molecular and structural information

Molecular formula:
C33H50O6P2
Molecular weight:
604.694
SMILES notation:
CC(C)(C)c1ccc(OP2OCC3(COP(Oc4ccc(cc4C(C)(C)C)C(C)(C)C)OC3)CO2)c(c1)C(C)(C)C
InChl:
InChI=1/C33H50O6P2/c1-29(2,3)23-13-15-27(25(17-23)31(7,8)9)38-40-34-19-33(20-35-40)21-36-41(37-22-33)39-28-16-14-24(30(4,5)6)18-26(28)32(10,11)12/h13-18H,19-22H2,1-12H3
Structural formula:
Chemical structure

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