(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl) 3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propanoate

Systemtic Name: (2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl) 3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propanoate Openeye Name: (2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl) 3-(3,5-ditert-butyl-4-hydroxy-phenyl)propanoate CAS Name: 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoic acid (2,4,8,10-tetratert-butyl-6-benzo[d][1,3,2]benzodioxaphosphepinyl) ester IUPAC Name: (2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl) 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate Traditional Name: 3-(3,5-ditert-butyl-4-hydroxy-phenyl)propionic acid (2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl) ester Formula: C45H65O5P MolecularWeight: 716.968361

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C2C(=C1)C3=CC(=CC(=C3OP(O2)OC(=O)CCC4=CC(=C(C(=C4)C(C)(C)C)O)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=C2C(=C1)C3=CC(=CC(=C3OP(O2)OC(=O)CCC4=CC(=C(C(=C4)C(C)(C)C)O)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C45H65O5P/c1-40(2,3)28-23-30-31-24-29(41(4,5)6)26-35(45(16,17)18)39(31)50-51(49-38(30)34(25-28)44(13,14)15)48-36(46)20-19-27-21-32(42(7,8)9)37(47)33(22-27)43(10,11)12/h21-26,47H,19-20H2,1-18H3