2,6-ditert-butylphenol; [3-(3-phenylpropanoyloxy)-2,2-bis(3-phenylpropanoyloxymethyl)propyl] 3-phenylpropanoate

Systemtic Name: 2,6-ditert-butylphenol; [3-(3-phenylpropanoyloxy)-2,2-bis(3-phenylpropanoyloxymethyl)propyl] 3-phenylpropanoate Openeye Name: 2,6-ditert-butylphenol; [3-(3-phenylpropanoyloxy)-2,2-bis(3-phenylpropanoyloxymethyl)propyl] 3-phenylpropanoate CAS Name: 2,6-ditert-butylphenol; 3-phenylpropanoic acid [3-(1-oxo-3-phenylpropoxy)-2,2-bis[(1-oxo-3-phenylpropoxy)methyl]propyl] ester IUPAC Name: 2,6-ditert-butylphenol; [3-(3-phenylpropanoyloxy)-2,2-bis(3-phenylpropanoyloxymethyl)propyl] 3-phenylpropanoate Traditional Name: 2,6-ditert-butylphenol; 3-phenylpropionic acid [3-hydrocinnamoyloxy-2,2-bis(hydrocinnamoyloxymethyl)propyl] ester Formula: C55H66O9 MolecularWeight: 871.10714

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C(=CC=C1)C(C)(C)C)O.C1=CC=C(C=C1)CCC(=O)OCC(COC(=O)CCC2=CC=CC=C2)(COC(=O)CCC3=CC=CC=C3)COC(=O)CCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=C(C(=CC=C1)C(C)(C)C)O.C1=CC=C(C=C1)CCC(=O)OCC(COC(=O)CCC2=CC=CC=C2)(COC(=O)CCC3=CC=CC=C3)COC(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C41H44O8.C14H22O/c42-37(25-21-33-13-5-1-6-14-33)46-29-41(30-47-38(43)26-22-34-15-7-2-8-16-34,31-48-39(44)27-23-35-17-9-3-10-18-35)32-49-40(45)28-24-36-19-11-4-12-20-36;1-13(2,3)10-8-7-9-11(12(10)15)14(4,5)6/h1-20H,21-32H2;7-9,15H,1-6H3