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

Systemtic Name: hexadecyl 3,5-bis(2-methylbutan-2-yl)-4-oxidanyl-benzoate Openeye Name: hexadecyl 3,5-bis(1,1-dimethylpropyl)-4-hydroxy-benzoate CAS Name: 4-hydroxy-3,5-bis(2-methylbutan-2-yl)benzoic acid hexadecyl ester IUPAC Name: hexadecyl 4-hydroxy-3,5-bis(2-methylbutan-2-yl)benzoate Traditional Name: 3,5-ditert-amyl-4-hydroxy-benzoic acid cetyl ester Formula: C33H58O3 MolecularWeight: 502.81182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H58O3/c1-8-11-12-13-14-15-16-17-18-19-20-21-22-23-24-36-31(35)27-25-28(32(4,5)9-2)30(34)29(26-27)33(6,7)10-3/h25-26,34H,8-24H2,1-7H3