4-hexadecanoyloxybutyl 3,4,5-triacetyloxybenzoate

Systemtic Name: 4-hexadecanoyloxybutyl 3,4,5-triacetyloxybenzoate Openeye Name: 4-hexadecanoyloxybutyl 3,4,5-triacetoxybenzoate CAS Name: 3,4,5-triacetyloxybenzoic acid 4-(1-oxohexadecoxy)butyl ester IUPAC Name: 4-hexadecanoyloxybutyl 3,4,5-triacetyloxybenzoate Traditional Name: 3,4,5-triacetoxybenzoic acid 4-hexadecanoyloxybutyl ester Formula: C33H50O10 MolecularWeight: 606.7441

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCCCCOC(=O)C1=CC(=C(C(=C1)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCCCCOC(=O)C1=CC(=C(C(=C1)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C33H50O10/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-20-31(37)39-21-18-19-22-40-33(38)28-23-29(41-25(2)34)32(43-27(4)36)30(24-28)42-26(3)35/h23-24H,5-22H2,1-4H3