sodium (3,5-dimethylphenyl) (4-phenethylphenyl) phosphate

Systemtic Name: sodium (3,5-dimethylphenyl) (4-phenethylphenyl) phosphate Openeye Name: sodium (3,5-dimethylphenyl) (4-phenethylphenyl) phosphate CAS Name: sodium (3,5-dimethylphenyl) (4-phenethylphenyl) phosphate IUPAC Name: sodium (3,5-dimethylphenyl) (4-phenethylphenyl) phosphate Traditional Name: sodium (3,5-dimethylphenyl) (4-phenethylphenyl) phosphate Formula: C22H22NaO4P MolecularWeight: 404.371211

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23O4P.Na/c1-17-14-18(2)16-22(15-17)26-27(23,24)25-21-12-10-20(11-13-21)9-8-19-6-4-3-5-7-19;/h3-7,10-16H,8-9H2,1-2H3,(H,23,24);/q;+1/p-1