tris[2,3-di(nonyl)phenyl] phosphate

Systemtic Name: tris[2,3-di(nonyl)phenyl] phosphate Openeye Name: tris[2,3-di(nonyl)phenyl] phosphate CAS Name: phosphoric acid tris[2,3-di(nonyl)phenyl] ester IUPAC Name: tris[2,3-di(nonyl)phenyl] phosphate Traditional Name: phosphoric acid tris[2,3-di(nonyl)phenyl] ester Formula: C72H123O4P MolecularWeight: 1083.718381

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=C(C(=CC=C1)OP(=O)(OC2=CC=CC(=C2CCCCCCCCC)CCCCCCCCC)OC3=CC=CC(=C3CCCCCCCCC)CCCCCCCCC)CCCCCCCCC

Isomeric SMILES

CCCCCCCCCC1=C(C(=CC=C1)OP(=O)(OC2=CC=CC(=C2CCCCCCCCC)CCCCCCCCC)OC3=CC=CC(=C3CCCCCCCCC)CCCCCCCCC)CCCCCCCCC

InChI

InChI=1S/C72H123O4P/c1-7-13-19-25-31-37-43-52-64-55-49-61-70(67(64)58-46-40-34-28-22-16-10-4)74-77(73,75-71-62-50-56-65(53-44-38-32-26-20-14-8-2)68(71)59-47-41-35-29-23-17-11-5)76-72-63-51-57-66(54-45-39-33-27-21-15-9-3)69(72)60-48-42-36-30-24-18-12-6/h49-51,55-57,61-63H,7-48,52-54,58-60H2,1-6H3