hexadecyl 4-oxidanyl-3,5-bis(2-phenylpropan-2-yl)benzoate

Systemtic Name: hexadecyl 4-oxidanyl-3,5-bis(2-phenylpropan-2-yl)benzoate Openeye Name: hexadecyl 4-hydroxy-3,5-bis(1-methyl-1-phenyl-ethyl)benzoate CAS Name: 4-hydroxy-3,5-bis(2-phenylpropan-2-yl)benzoic acid hexadecyl ester IUPAC Name: hexadecyl 4-hydroxy-3,5-bis(2-phenylpropan-2-yl)benzoate Traditional Name: 3,5-dicumyl-4-hydroxy-benzoic acid cetyl ester Formula: C41H58O3 MolecularWeight: 598.89742

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)C1=CC(=C(C(=C1)C(C)(C)C2=CC=CC=C2)O)C(C)(C)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)C1=CC(=C(C(=C1)C(C)(C)C2=CC=CC=C2)O)C(C)(C)C3=CC=CC=C3

InChI

InChI=1S/C41H58O3/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-25-30-44-39(43)33-31-36(40(2,3)34-26-21-19-22-27-34)38(42)37(32-33)41(4,5)35-28-23-20-24-29-35/h19-24,26-29,31-32,42H,6-18,25,30H2,1-5H3