2,6-ditert-butylphenol; octadecyl 3-phenylpropanoate

Systemtic Name: 2,6-ditert-butylphenol; octadecyl 3-phenylpropanoate Openeye Name: 2,6-ditert-butylphenol; octadecyl 3-phenylpropanoate CAS Name: 2,6-ditert-butylphenol; 3-phenylpropanoic acid octadecyl ester IUPAC Name: 2,6-ditert-butylphenol; octadecyl 3-phenylpropanoate Traditional Name: 2,6-ditert-butylphenol; 3-phenylpropionic acid stearyl ester Formula: C41H68O3 MolecularWeight: 608.97682

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)CCC1=CC=CC=C1.CC(C)(C)C1=C(C(=CC=C1)C(C)(C)C)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)CCC1=CC=CC=C1.CC(C)(C)C1=C(C(=CC=C1)C(C)(C)C)O

InChI

InChI=1S/C27H46O2.C14H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-25-29-27(28)24-23-26-21-18-17-19-22-26;1-13(2,3)10-8-7-9-11(12(10)15)14(4,5)6/h17-19,21-22H,2-16,20,23-25H2,1H3;7-9,15H,1-6H3