sodium bis[6-(4-pentylphenoxy)hexyl] phosphate

Systemtic Name: sodium bis[6-(4-pentylphenoxy)hexyl] phosphate Openeye Name: sodium bis[6-(4-pentylphenoxy)hexyl] phosphate CAS Name: sodium bis[6-(4-pentylphenoxy)hexyl] phosphate IUPAC Name: sodium bis[6-(4-pentylphenoxy)hexyl] phosphate Traditional Name: sodium bis[6-(4-amylphenoxy)hexyl] phosphate Formula: C34H54NaO6P MolecularWeight: 612.752491

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)OCCCCCCOP(=O)([O-])OCCCCCCOC2=CC=C(C=C2)CCCCC.[Na+]

Isomeric SMILES

CCCCCC1=CC=C(C=C1)OCCCCCCOP(=O)([O-])OCCCCCCOC2=CC=C(C=C2)CCCCC.[Na+]

InChI

InChI=1S/C34H55O6P.Na/c1-3-5-11-17-31-19-23-33(24-20-31)37-27-13-7-9-15-29-39-41(35,36)40-30-16-10-8-14-28-38-34-25-21-32(22-26-34)18-12-6-4-2;/h19-26H,3-18,27-30H2,1-2H3,(H,35,36);/q;+1/p-1