tricalcium 2,4-ditert-butyl-6-[1-(3,5-ditert-butyl-2-oxidanyl-phenyl)ethyl]phenol diphosphate

Systemtic Name: tricalcium 2,4-ditert-butyl-6-[1-(3,5-ditert-butyl-2-oxidanyl-phenyl)ethyl]phenol diphosphate Openeye Name: tricalcium 2,4-ditert-butyl-6-[1-(3,5-ditert-butyl-2-hydroxy-phenyl)ethyl]phenol diphosphate CAS Name: tricalcium 2,4-ditert-butyl-6-[1-(3,5-ditert-butyl-2-hydroxyphenyl)ethyl]phenol diphosphate IUPAC Name: tricalcium 2,4-ditert-butyl-6-[1-(3,5-ditert-butyl-2-hydroxyphenyl)ethyl]phenol diphosphate Traditional Name: tricalcium 2,4-ditert-butyl-6-[1-(3,5-ditert-butyl-2-hydroxy-phenyl)ethyl]phenol diphosphate Formula: C30H46Ca3O10P2 MolecularWeight: 748.861762

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C(=CC(=C1)C(C)(C)C)C(C)(C)C)O)C2=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(C1=C(C(=CC(=C1)C(C)(C)C)C(C)(C)C)O)C2=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/C30H46O2.3Ca.2H3O4P/c1-18(21-14-19(27(2,3)4)16-23(25(21)31)29(8,9)10)22-15-20(28(5,6)7)17-24(26(22)32)30(11,12)13;;;;2*1-5(2,3)4/h14-18,31-32H,1-13H3;;;;2*(H3,1,2,3,4)/q;3*+2;;/p-6