(3,5-dimethylphenyl) [4-[3-(4-hydroxyphenyl)propanoyl]-3-oxidanyl-phenyl] oxidanyl phosphate

Systemtic Name: (3,5-dimethylphenyl) [4-[3-(4-hydroxyphenyl)propanoyl]-3-oxidanyl-phenyl] oxidanyl phosphate Openeye Name: (3,5-dimethylphenyl) hydroxy [3-hydroxy-4-[3-(4-hydroxyphenyl)propanoyl]phenyl] phosphate CAS Name: phosphoric acid (3,5-dimethylphenyl) hydroxy [3-hydroxy-4-[3-(4-hydroxyphenyl)-1-oxopropyl]phenyl] ester IUPAC Name: (3,5-dimethylphenyl) hydroxy [3-hydroxy-4-[3-(4-hydroxyphenyl)propanoyl]phenyl] phosphate Traditional Name: phosphoric acid (3,5-dimethylphenyl) hydroxy [3-hydroxy-4-[3-(4-hydroxyphenyl)propanoyl]phenyl] ester Formula: C23H23O8P MolecularWeight: 458.397681

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OP(=O)(OC2=CC(=C(C=C2)C(=O)CCC3=CC=C(C=C3)O)O)OO)C

Isomeric SMILES

CC1=CC(=CC(=C1)OP(=O)(OC2=CC(=C(C=C2)C(=O)CCC3=CC=C(C=C3)O)O)OO)C

InChI

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