octadecyl 3-tert-butyl-4-oxidanyl-benzoate

Systemtic Name: octadecyl 3-tert-butyl-4-oxidanyl-benzoate Openeye Name: octadecyl 3-tert-butyl-4-hydroxy-benzoate CAS Name: 3-tert-butyl-4-hydroxybenzoic acid octadecyl ester IUPAC Name: octadecyl 3-tert-butyl-4-hydroxybenzoate Traditional Name: 3-tert-butyl-4-hydroxy-benzoic acid stearyl ester Formula: C29H50O3 MolecularWeight: 446.7055

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H50O3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-32-28(31)25-21-22-27(30)26(24-25)29(2,3)4/h21-22,24,30H,5-20,23H2,1-4H3