2,3,5,6-tetrakis(2,6-dimethylphenyl)benzene-1,4-diol diphosphate

Systemtic Name: 2,3,5,6-tetrakis(2,6-dimethylphenyl)benzene-1,4-diol diphosphate Openeye Name: 2,3,5,6-tetrakis(2,6-dimethylphenyl)benzene-1,4-diol diphosphate CAS Name: 2,3,5,6-tetrakis(2,6-dimethylphenyl)benzene-1,4-diol diphosphate IUPAC Name: 2,3,5,6-tetrakis(2,6-dimethylphenyl)benzene-1,4-diol diphosphate Traditional Name: 2,3,5,6-tetrakis(2,6-dimethylphenyl)hydroquinone diphosphate Formula: C38H38O10P2-6 MolecularWeight: 716.649842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)C2=C(C(=C(C(=C2O)C3=C(C=CC=C3C)C)C4=C(C=CC=C4C)C)O)C5=C(C=CC=C5C)C.[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-]

Isomeric SMILES

CC1=C(C(=CC=C1)C)C2=C(C(=C(C(=C2O)C3=C(C=CC=C3C)C)C4=C(C=CC=C4C)C)O)C5=C(C=CC=C5C)C.[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-]

InChI

InChI=1S/C38H38O2.2H3O4P/c1-21-13-9-14-22(2)29(21)33-34(30-23(3)15-10-16-24(30)4)38(40)36(32-27(7)19-12-20-28(32)8)35(37(33)39)31-25(5)17-11-18-26(31)6;2*1-5(2,3)4/h9-20,39-40H,1-8H3;2*(H3,1,2,3,4)/p-6