(3,5-dimethylphenyl) [4-[3-oxidanylidene-3-[2,4,6-tris(oxidanyl)phenyl]propyl]phenyl] hydrogen phosphate

Systemtic Name: (3,5-dimethylphenyl) [4-[3-oxidanylidene-3-[2,4,6-tris(oxidanyl)phenyl]propyl]phenyl] hydrogen phosphate Openeye Name: (3,5-dimethylphenyl) [4-[3-oxo-3-(2,4,6-trihydroxyphenyl)propyl]phenyl] hydrogen phosphate CAS Name: (3,5-dimethylphenyl) [4-[3-oxo-3-(2,4,6-trihydroxyphenyl)propyl]phenyl] hydrogen phosphate IUPAC Name: (3,5-dimethylphenyl) [4-[3-oxo-3-(2,4,6-trihydroxyphenyl)propyl]phenyl] hydrogen phosphate Traditional Name: (3,5-dimethylphenyl) [4-[3-keto-3-(2,4,6-trihydroxyphenyl)propyl]phenyl] hydrogen phosphate Formula: C23H23O8P MolecularWeight: 458.397681

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OP(=O)(O)OC2=CC=C(C=C2)CCC(=O)C3=C(C=C(C=C3O)O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)OP(=O)(O)OC2=CC=C(C=C2)CCC(=O)C3=C(C=C(C=C3O)O)O)C

InChI

InChI=1S/C23H23O8P/c1-14-9-15(2)11-19(10-14)31-32(28,29)30-18-6-3-16(4-7-18)5-8-20(25)23-21(26)12-17(24)13-22(23)27/h3-4,6-7,9-13,24,26-27H,5,8H2,1-2H3,(H,28,29)