dihexadecyl 5-(2-phosphonooxyethoxy)benzene-1,3-dicarboxylate

Systemtic Name: dihexadecyl 5-(2-phosphonooxyethoxy)benzene-1,3-dicarboxylate Openeye Name: dihexadecyl 5-(2-phosphonooxyethoxy)benzene-1,3-dicarboxylate CAS Name: 5-(2-phosphonooxyethoxy)benzene-1,3-dicarboxylic acid dihexadecyl ester IUPAC Name: dihexadecyl 5-(2-phosphonooxyethoxy)benzene-1,3-dicarboxylate Traditional Name: 5-(2-phosphonooxyethoxy)benzene-1,3-dicarboxylic acid dicetyl ester Formula: C42H75O9P MolecularWeight: 755.013261

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)C1=CC(=CC(=C1)OCCOP(=O)(O)O)C(=O)OCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)C1=CC(=CC(=C1)OCCOP(=O)(O)O)C(=O)OCCCCCCCCCCCCCCCC

InChI

InChI=1S/C42H75O9P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-49-41(43)38-35-39(37-40(36-38)48-33-34-51-52(45,46)47)42(44)50-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35-37H,3-34H2,1-2H3,(H2,45,46,47)