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

Systemtic Name: tricalcium 2-tert-butyl-6-[(3-tert-butyl-5-methyl-2-oxidanyl-phenyl)methyl]-4-methyl-phenol diphosphate Openeye Name: tricalcium 2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methyl-phenyl)methyl]-4-methyl-phenol diphosphate CAS Name: tricalcium 2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenol diphosphate IUPAC Name: tricalcium 2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenol diphosphate Traditional Name: tricalcium 2-tert-butyl-6-(3-tert-butyl-2-hydroxy-5-methyl-benzyl)-4-methyl-phenol diphosphate Formula: C23H32Ca3O10P2 MolecularWeight: 650.675702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C(C)(C)C)O)CC2=C(C(=CC(=C2)C)C(C)(C)C)O.[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[Ca+2].[Ca+2].[Ca+2]

Isomeric SMILES

CC1=CC(=C(C(=C1)C(C)(C)C)O)CC2=C(C(=CC(=C2)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/C23H32O2.3Ca.2H3O4P/c1-14-9-16(20(24)18(11-14)22(3,4)5)13-17-10-15(2)12-19(21(17)25)23(6,7)8;;;;2*1-5(2,3)4/h9-12,24-25H,13H2,1-8H3;;;;2*(H3,1,2,3,4)/q;3*+2;;/p-6