1-ethoxy-4-[4-ethoxy-2,3-di(nonyl)phenoxy]-2,3-di(nonyl)benzene phosphate

Systemtic Name: 1-ethoxy-4-[4-ethoxy-2,3-di(nonyl)phenoxy]-2,3-di(nonyl)benzene phosphate Openeye Name: 1-ethoxy-4-[4-ethoxy-2,3-di(nonyl)phenoxy]-2,3-di(nonyl)benzene phosphate CAS Name: 1-ethoxy-4-[4-ethoxy-2,3-di(nonyl)phenoxy]-2,3-di(nonyl)benzene phosphate IUPAC Name: 1-ethoxy-4-[4-ethoxy-2,3-di(nonyl)phenoxy]-2,3-di(nonyl)benzene phosphate Traditional Name: 1-ethoxy-4-[4-ethoxy-2,3-di(nonyl)phenoxy]-2,3-di(nonyl)benzene phosphate Formula: C52H90O7P-3 MolecularWeight: 858.240561

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=C(C=CC(=C1CCCCCCCCC)OC2=C(C(=C(C=C2)OCC)CCCCCCCCC)CCCCCCCCC)OCC.[O-]P(=O)([O-])[O-]

Isomeric SMILES

CCCCCCCCCC1=C(C=CC(=C1CCCCCCCCC)OC2=C(C(=C(C=C2)OCC)CCCCCCCCC)CCCCCCCCC)OCC.[O-]P(=O)([O-])[O-]

InChI

InChI=1S/C52H90O3.H3O4P/c1-7-13-17-21-25-29-33-37-45-47(39-35-31-27-23-19-15-9-3)51(43-41-49(45)53-11-5)55-52-44-42-50(54-12-6)46(38-34-30-26-22-18-14-8-2)48(52)40-36-32-28-24-20-16-10-4;1-5(2,3)4/h41-44H,7-40H2,1-6H3;(H3,1,2,3,4)/p-3