sodium [3,5-dimethoxy-4-[3-(4-methoxyphenyl)propanoyl]phenyl] (3,5-dimethylphenyl) phosphate

Systemtic Name: sodium [3,5-dimethoxy-4-[3-(4-methoxyphenyl)propanoyl]phenyl] (3,5-dimethylphenyl) phosphate Openeye Name: sodium [3,5-dimethoxy-4-[3-(4-methoxyphenyl)propanoyl]phenyl] (3,5-dimethylphenyl) phosphate CAS Name: sodium [3,5-dimethoxy-4-[3-(4-methoxyphenyl)-1-oxopropyl]phenyl] (3,5-dimethylphenyl) phosphate IUPAC Name: sodium [3,5-dimethoxy-4-[3-(4-methoxyphenyl)propanoyl]phenyl] (3,5-dimethylphenyl) phosphate Traditional Name: sodium [3,5-dimethoxy-4-[3-(4-methoxyphenyl)propanoyl]phenyl] (3,5-dimethylphenyl) phosphate Formula: C26H28NaO8P MolecularWeight: 522.459251

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OP(=O)([O-])OC2=CC(=C(C(=C2)OC)C(=O)CCC3=CC=C(C=C3)OC)OC)C.[Na+]

Isomeric SMILES

CC1=CC(=CC(=C1)OP(=O)([O-])OC2=CC(=C(C(=C2)OC)C(=O)CCC3=CC=C(C=C3)OC)OC)C.[Na+]

InChI

InChI=1S/C26H29O8P.Na/c1-17-12-18(2)14-21(13-17)33-35(28,29)34-22-15-24(31-4)26(25(16-22)32-5)23(27)11-8-19-6-9-20(30-3)10-7-19;/h6-7,9-10,12-16H,8,11H2,1-5H3,(H,28,29);/q;+1/p-1