tris(9-heptan-3-ylheptadecan-9-yl) phosphate

Systemtic Name: tris(9-heptan-3-ylheptadecan-9-yl) phosphate Openeye Name: tris[1-(1-ethylpentyl)-1-octyl-nonyl] phosphate CAS Name: phosphoric acid tris(9-heptan-3-ylheptadecan-9-yl) ester IUPAC Name: tris(9-heptan-3-ylheptadecan-9-yl) phosphate Traditional Name: phosphoric acid tris[1-(1-ethylpentyl)-1-octyl-nonyl] ester Formula: C72H147O4P MolecularWeight: 1107.908941

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CCCCCCCC)(C(CC)CCCC)OP(=O)(OC(CCCCCCCC)(CCCCCCCC)C(CC)CCCC)OC(CCCCCCCC)(CCCCCCCC)C(CC)CCCC

Isomeric SMILES

CCCCCCCCC(CCCCCCCC)(C(CC)CCCC)OP(=O)(OC(CCCCCCCC)(CCCCCCCC)C(CC)CCCC)OC(CCCCCCCC)(CCCCCCCC)C(CC)CCCC

InChI

InChI=1S/C72H147O4P/c1-13-25-34-40-46-52-61-70(67(22-10)58-31-19-7,62-53-47-41-35-26-14-2)74-77(73,75-71(68(23-11)59-32-20-8,63-54-48-42-36-27-15-3)64-55-49-43-37-28-16-4)76-72(69(24-12)60-33-21-9,65-56-50-44-38-29-17-5)66-57-51-45-39-30-18-6/h67-69H,13-66H2,1-12H3