trisodium 2,4-ditert-butyl-3-[(2,6-ditert-butyl-3-oxidanyl-phenyl)methyl]phenol phosphate

Systemtic Name: trisodium 2,4-ditert-butyl-3-[(2,6-ditert-butyl-3-oxidanyl-phenyl)methyl]phenol phosphate Openeye Name: trisodium 2,4-ditert-butyl-3-[(2,6-ditert-butyl-3-hydroxy-phenyl)methyl]phenol phosphate CAS Name: trisodium 2,4-ditert-butyl-3-[(2,6-ditert-butyl-3-hydroxyphenyl)methyl]phenol phosphate IUPAC Name: trisodium 2,4-ditert-butyl-3-[(2,6-ditert-butyl-3-hydroxyphenyl)methyl]phenol phosphate Traditional Name: trisodium 2,4-ditert-butyl-3-(2,6-ditert-butyl-3-hydroxy-benzyl)phenol phosphate Formula: C87H132Na3O10P MolecularWeight: 1437.916051

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C(=C(C=C1)O)C(C)(C)C)CC2=C(C=CC(=C2C(C)(C)C)O)C(C)(C)C.CC(C)(C)C1=C(C(=C(C=C1)O)C(C)(C)C)CC2=C(C=CC(=C2C(C)(C)C)O)C(C)(C)C.CC(C)(C)C1=C(C(=C(C=C1)O)C(C)(C)C)CC2=C(C=CC(=C2C(C)(C)C)O)C(C)(C)C.[O-]P(=O)([O-])[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

CC(C)(C)C1=C(C(=C(C=C1)O)C(C)(C)C)CC2=C(C=CC(=C2C(C)(C)C)O)C(C)(C)C.CC(C)(C)C1=C(C(=C(C=C1)O)C(C)(C)C)CC2=C(C=CC(=C2C(C)(C)C)O)C(C)(C)C.CC(C)(C)C1=C(C(=C(C=C1)O)C(C)(C)C)CC2=C(C=CC(=C2C(C)(C)C)O)C(C)(C)C.[O-]P(=O)([O-])[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/3C29H44O2.3Na.H3O4P/c3*1-26(2,3)20-13-15-22(30)24(28(7,8)9)18(20)17-19-21(27(4,5)6)14-16-23(31)25(19)29(10,11)12;;;;1-5(2,3)4/h3*13-16,30-31H,17H2,1-12H3;;;;(H3,1,2,3,4)/q;;;3*+1;/p-3