2,4-bis[2,3,4-tritert-butyl-5-(4-hydroxyphenyl)phenyl]benzene-1,3-diol diphosphate

Systemtic Name: 2,4-bis[2,3,4-tritert-butyl-5-(4-hydroxyphenyl)phenyl]benzene-1,3-diol diphosphate Openeye Name: 2,4-bis[2,3,4-tritert-butyl-5-(4-hydroxyphenyl)phenyl]benzene-1,3-diol diphosphate CAS Name: 2,4-bis[2,3,4-tritert-butyl-5-(4-hydroxyphenyl)phenyl]benzene-1,3-diol diphosphate IUPAC Name: 2,4-bis[2,3,4-tritert-butyl-5-(4-hydroxyphenyl)phenyl]benzene-1,3-diol diphosphate Traditional Name: 2,4-bis[2,3,4-tritert-butyl-5-(4-hydroxyphenyl)phenyl]resorcinol diphosphate Formula: C54H70O12P2-6 MolecularWeight: 973.073922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C(=C(C=C1C2=CC=C(C=C2)O)C3=C(C(=C(C=C3)O)C4=C(C(=C(C(=C4)C5=CC=C(C=C5)O)C(C)(C)C)C(C)(C)C)C(C)(C)C)O)C(C)(C)C)C(C)(C)C.[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-]

Isomeric SMILES

CC(C)(C)C1=C(C(=C(C=C1C2=CC=C(C=C2)O)C3=C(C(=C(C=C3)O)C4=C(C(=C(C(=C4)C5=CC=C(C=C5)O)C(C)(C)C)C(C)(C)C)C(C)(C)C)O)C(C)(C)C)C(C)(C)C.[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-]

InChI

InChI=1S/C54H70O4.2H3O4P/c1-49(2,3)42-36(31-19-23-33(55)24-20-31)29-38(44(51(7,8)9)46(42)53(13,14)15)35-27-28-40(57)41(48(35)58)39-30-37(32-21-25-34(56)26-22-32)43(50(4,5)6)47(54(16,17)18)45(39)52(10,11)12;2*1-5(2,3)4/h19-30,55-58H,1-18H3;2*(H3,1,2,3,4)/p-6