[2,3,5,6-tetrakis(2,6-dimethylphenyl)-4-phosphonooxy-phenyl] dihydrogen phosphate

Systemtic Name: [2,3,5,6-tetrakis(2,6-dimethylphenyl)-4-phosphonooxy-phenyl] dihydrogen phosphate Openeye Name: [2,3,5,6-tetrakis(2,6-dimethylphenyl)-4-phosphonooxy-phenyl] dihydrogen phosphate CAS Name: [2,3,5,6-tetrakis(2,6-dimethylphenyl)-4-phosphonooxyphenyl] dihydrogen phosphate IUPAC Name: [2,3,5,6-tetrakis(2,6-dimethylphenyl)-4-phosphonooxyphenyl] dihydrogen phosphate Traditional Name: [2,3,5,6-tetrakis(2,6-dimethylphenyl)-4-phosphonooxy-phenyl] dihydrogen phosphate Formula: C38H40O8P2 MolecularWeight: 686.666922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)C2=C(C(=C(C(=C2OP(=O)(O)O)C3=C(C=CC=C3C)C)C4=C(C=CC=C4C)C)OP(=O)(O)O)C5=C(C=CC=C5C)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)C2=C(C(=C(C(=C2OP(=O)(O)O)C3=C(C=CC=C3C)C)C4=C(C=CC=C4C)C)OP(=O)(O)O)C5=C(C=CC=C5C)C

InChI

InChI=1S/C38H40O8P2/c1-21-13-9-14-22(2)29(21)33-34(30-23(3)15-10-16-24(30)4)38(46-48(42,43)44)36(32-27(7)19-12-20-28(32)8)35(37(33)45-47(39,40)41)31-25(5)17-11-18-26(31)6/h9-20H,1-8H3,(H2,39,40,41)(H2,42,43,44)