sodium (3,5-dimethylphenyl) [4-(1-oxidanyl-1-phenyl-pentyl)phenyl] phosphate

Systemtic Name: sodium (3,5-dimethylphenyl) [4-(1-oxidanyl-1-phenyl-pentyl)phenyl] phosphate Openeye Name: sodium (3,5-dimethylphenyl) [4-(1-hydroxy-1-phenyl-pentyl)phenyl] phosphate CAS Name: sodium (3,5-dimethylphenyl) [4-(1-hydroxy-1-phenylpentyl)phenyl] phosphate IUPAC Name: sodium (3,5-dimethylphenyl) [4-(1-hydroxy-1-phenylpentyl)phenyl] phosphate Traditional Name: sodium (3,5-dimethylphenyl) [4-(1-hydroxy-1-phenyl-pentyl)phenyl] phosphate Formula: C25H28NaO5P MolecularWeight: 462.450351

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=CC=CC=C1)(C2=CC=C(C=C2)OP(=O)([O-])OC3=CC(=CC(=C3)C)C)O.[Na+]

Isomeric SMILES

CCCCC(C1=CC=CC=C1)(C2=CC=C(C=C2)OP(=O)([O-])OC3=CC(=CC(=C3)C)C)O.[Na+]

InChI

InChI=1S/C25H29O5P.Na/c1-4-5-15-25(26,21-9-7-6-8-10-21)22-11-13-23(14-12-22)29-31(27,28)30-24-17-19(2)16-20(3)18-24;/h6-14,16-18,26H,4-5,15H2,1-3H3,(H,27,28);/q;+1/p-1