tricalcium 2,4-ditert-butyl-6-[(3,5-ditert-butyl-2-oxidanyl-phenyl)methyl]phenol diphosphate

Systemtic Name: tricalcium 2,4-ditert-butyl-6-[(3,5-ditert-butyl-2-oxidanyl-phenyl)methyl]phenol diphosphate Openeye Name: tricalcium 2,4-ditert-butyl-6-[(3,5-ditert-butyl-2-hydroxy-phenyl)methyl]phenol diphosphate CAS Name: tricalcium 2,4-ditert-butyl-6-[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]phenol diphosphate IUPAC Name: tricalcium 2,4-ditert-butyl-6-[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]phenol diphosphate Traditional Name: tricalcium 2,4-ditert-butyl-6-(3,5-ditert-butyl-2-hydroxy-benzyl)phenol diphosphate Formula: C29H44Ca3O10P2 MolecularWeight: 734.835182

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)O)CC2=C(C(=CC(=C2)C(C)(C)C)C(C)(C)C)O.[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[Ca+2].[Ca+2].[Ca+2]

Isomeric SMILES

CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)O)CC2=C(C(=CC(=C2)C(C)(C)C)C(C)(C)C)O.[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[Ca+2].[Ca+2].[Ca+2]

InChI

InChI=1S/C29H44O2.3Ca.2H3O4P/c1-26(2,3)20-14-18(24(30)22(16-20)28(7,8)9)13-19-15-21(27(4,5)6)17-23(25(19)31)29(10,11)12;;;;2*1-5(2,3)4/h14-17,30-31H,13H2,1-12H3;;;;2*(H3,1,2,3,4)/q;3*+2;;/p-6