3-(bromomethyl)-2,4-ditert-butyl-5-(3-dodecoxyphenyl)phenol phosphate

Systemtic Name: 3-(bromomethyl)-2,4-ditert-butyl-5-(3-dodecoxyphenyl)phenol phosphate Openeye Name: 3-(bromomethyl)-2,4-ditert-butyl-5-(3-dodecoxyphenyl)phenol phosphate CAS Name: 3-(bromomethyl)-2,4-ditert-butyl-5-(3-dodecoxyphenyl)phenol phosphate IUPAC Name: 3-(bromomethyl)-2,4-ditert-butyl-5-(3-dodecoxyphenyl)phenol phosphate Traditional Name: 3-(bromomethyl)-2,4-ditert-butyl-5-(3-lauryloxyphenyl)phenol phosphate Formula: C33H51BrO6P-3 MolecularWeight: 654.632201

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC=CC(=C1)C2=CC(=C(C(=C2C(C)(C)C)CBr)C(C)(C)C)O.[O-]P(=O)([O-])[O-]

Isomeric SMILES

CCCCCCCCCCCCOC1=CC=CC(=C1)C2=CC(=C(C(=C2C(C)(C)C)CBr)C(C)(C)C)O.[O-]P(=O)([O-])[O-]

InChI

InChI=1S/C33H51BrO2.H3O4P/c1-8-9-10-11-12-13-14-15-16-17-21-36-26-20-18-19-25(22-26)27-23-29(35)31(33(5,6)7)28(24-34)30(27)32(2,3)4;1-5(2,3)4/h18-20,22-23,35H,8-17,21,24H2,1-7H3;(H3,1,2,3,4)/p-3