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

Systemtic Name: sodium (3,5-dimethylphenyl) [4-[4-oxidanylidene-4-[2,4,6-tris(oxidanyl)phenyl]butyl]phenyl] phosphate Openeye Name: sodium (3,5-dimethylphenyl) [4-[4-oxo-4-(2,4,6-trihydroxyphenyl)butyl]phenyl] phosphate CAS Name: sodium (3,5-dimethylphenyl) [4-[4-oxo-4-(2,4,6-trihydroxyphenyl)butyl]phenyl] phosphate IUPAC Name: sodium (3,5-dimethylphenyl) [4-[4-oxo-4-(2,4,6-trihydroxyphenyl)butyl]phenyl] phosphate Traditional Name: sodium (3,5-dimethylphenyl) [4-[4-keto-4-(2,4,6-trihydroxyphenyl)butyl]phenyl] phosphate Formula: C24H24NaO8P MolecularWeight: 494.406091

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OP(=O)([O-])OC2=CC=C(C=C2)CCCC(=O)C3=C(C=C(C=C3O)O)O)C.[Na+]

Isomeric SMILES

CC1=CC(=CC(=C1)OP(=O)([O-])OC2=CC=C(C=C2)CCCC(=O)C3=C(C=C(C=C3O)O)O)C.[Na+]

InChI

InChI=1S/C24H25O8P.Na/c1-15-10-16(2)12-20(11-15)32-33(29,30)31-19-8-6-17(7-9-19)4-3-5-21(26)24-22(27)13-18(25)14-23(24)28;/h6-14,25,27-28H,3-5H2,1-2H3,(H,29,30);/q;+1/p-1