pyridin-3-yl 3,4,5-tridodecoxybenzoate

Systemtic Name: pyridin-3-yl 3,4,5-tridodecoxybenzoate Openeye Name: 3-pyridyl 3,4,5-tridodecoxybenzoate CAS Name: 3,4,5-tridodecoxybenzoic acid 3-pyridinyl ester IUPAC Name: pyridin-3-yl 3,4,5-tridodecoxybenzoate Traditional Name: 3,4,5-trilauryloxybenzoic acid 3-pyridyl ester Formula: C48H81NO5 MolecularWeight: 752.16044

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC(=CC(=C1OCCCCCCCCCCCC)OCCCCCCCCCCCC)C(=O)OC2=CN=CC=C2

Isomeric SMILES

CCCCCCCCCCCCOC1=CC(=CC(=C1OCCCCCCCCCCCC)OCCCCCCCCCCCC)C(=O)OC2=CN=CC=C2

InChI

InChI=1S/C48H81NO5/c1-4-7-10-13-16-19-22-25-28-31-37-51-45-40-43(48(50)54-44-35-34-36-49-42-44)41-46(52-38-32-29-26-23-20-17-14-11-8-5-2)47(45)53-39-33-30-27-24-21-18-15-12-9-6-3/h34-36,40-42H,4-33,37-39H2,1-3H3