1,4,7,10,13-pentaoxacyclopentadec-2-ylmethyl 3,4,5-tridodecoxybenzoate

Systemtic Name: 1,4,7,10,13-pentaoxacyclopentadec-2-ylmethyl 3,4,5-tridodecoxybenzoate Openeye Name: 1,4,7,10,13-pentaoxacyclopentadec-2-ylmethyl 3,4,5-tridodecoxybenzoate CAS Name: 3,4,5-tridodecoxybenzoic acid 1,4,7,10,13-pentaoxacyclopentadec-2-ylmethyl ester IUPAC Name: 1,4,7,10,13-pentaoxacyclopentadec-2-ylmethyl 3,4,5-tridodecoxybenzoate Traditional Name: 3,4,5-trilauryloxybenzoic acid 1,4,7,10,13-pentaoxacyclopentadec-2-ylmethyl ester Formula: C54H98O10 MolecularWeight: 907.34992

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC(=CC(=C1OCCCCCCCCCCCC)OCCCCCCCCCCCC)C(=O)OCC2COCCOCCOCCOCCO2

Isomeric SMILES

CCCCCCCCCCCCOC1=CC(=CC(=C1OCCCCCCCCCCCC)OCCCCCCCCCCCC)C(=O)OCC2COCCOCCOCCOCCO2

InChI

InChI=1S/C54H98O10/c1-4-7-10-13-16-19-22-25-28-31-34-61-51-45-49(54(55)64-48-50-47-59-42-41-57-38-37-56-39-40-58-43-44-60-50)46-52(62-35-32-29-26-23-20-17-14-11-8-5-2)53(51)63-36-33-30-27-24-21-18-15-12-9-6-3/h45-46,50H,4-44,47-48H2,1-3H3