phosphono [2,3,5,6-tetrakis(2,4-dimethylphenyl)-4-oxidanyl-phenyl] hydrogen phosphate

Systemtic Name: phosphono [2,3,5,6-tetrakis(2,4-dimethylphenyl)-4-oxidanyl-phenyl] hydrogen phosphate Openeye Name: phosphono [2,3,5,6-tetrakis(2,4-dimethylphenyl)-4-hydroxy-phenyl] hydrogen phosphate CAS Name: phosphono [2,3,5,6-tetrakis(2,4-dimethylphenyl)-4-hydroxyphenyl] hydrogen phosphate IUPAC Name: phosphono [2,3,5,6-tetrakis(2,4-dimethylphenyl)-4-hydroxyphenyl] hydrogen phosphate Traditional Name: phosphono [2,3,5,6-tetrakis(2,4-dimethylphenyl)-4-hydroxy-phenyl] hydrogen phosphate Formula: C38H40O8P2 MolecularWeight: 686.666922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=C(C(=C(C(=C2O)C3=C(C=C(C=C3)C)C)C4=C(C=C(C=C4)C)C)OP(=O)(O)OP(=O)(O)O)C5=C(C=C(C=C5)C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C2=C(C(=C(C(=C2O)C3=C(C=C(C=C3)C)C)C4=C(C=C(C=C4)C)C)OP(=O)(O)OP(=O)(O)O)C5=C(C=C(C=C5)C)C)C

InChI

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