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trioctadecan-2-yl phosphate

trioctadecan-2-yl phosphate

Systemtic Name:trioctadecan-2-yl phosphate
Openeye Name:tris(1-methylheptadecyl) phosphate
CAS Name:phosphoric acid trioctadecan-2-yl ester
IUPAC Name:trioctadecan-2-yl phosphate
Traditional Name:phosphoric acid tris(1-methylheptadecyl) ester
Formula: C54H111O4P
MolecularWeight: 855.430501
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(C)OP(=O)(OC(C)CCCCCCCCCCCCCCCC)OC(C)CCCCCCCCCCCCCCCC


Isomeric SMILES

CCCCCCCCCCCCCCCCC(C)OP(=O)(OC(C)CCCCCCCCCCCCCCCC)OC(C)CCCCCCCCCCCCCCCC


InChI

InChI=1S/C54H111O4P/c1-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52(4)56-59(55,57-53(5)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-2)58-54(6)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-3/h52-54H,7-51H2,1-6H3


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