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

Systemtic Name: sodium bis[6-(4-pentylphenyl)hexyl] phosphate Openeye Name: sodium bis[6-(4-pentylphenyl)hexyl] phosphate CAS Name: sodium bis[6-(4-pentylphenyl)hexyl] phosphate IUPAC Name: sodium bis[6-(4-pentylphenyl)hexyl] phosphate Traditional Name: sodium bis[6-(4-amylphenyl)hexyl] phosphate Formula: C34H54NaO4P MolecularWeight: 580.753691

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)CCCCCCOP(=O)([O-])OCCCCCCC2=CC=C(C=C2)CCCCC.[Na+]

Isomeric SMILES

CCCCCC1=CC=C(C=C1)CCCCCCOP(=O)([O-])OCCCCCCC2=CC=C(C=C2)CCCCC.[Na+]

InChI

InChI=1S/C34H55O4P.Na/c1-3-5-11-17-31-21-25-33(26-22-31)19-13-7-9-15-29-37-39(35,36)38-30-16-10-8-14-20-34-27-23-32(24-28-34)18-12-6-4-2;/h21-28H,3-20,29-30H2,1-2H3,(H,35,36);/q;+1/p-1