heptadecyl 3,5-ditert-butyl-4-oxidanyl-benzoate

Systemtic Name: heptadecyl 3,5-ditert-butyl-4-oxidanyl-benzoate Openeye Name: heptadecyl 3,5-ditert-butyl-4-hydroxy-benzoate CAS Name: 3,5-ditert-butyl-4-hydroxybenzoic acid heptadecyl ester IUPAC Name: heptadecyl 3,5-ditert-butyl-4-hydroxybenzoate Traditional Name: 3,5-ditert-butyl-4-hydroxy-benzoic acid heptadecyl ester Formula: C32H56O3 MolecularWeight: 488.78524

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCOC(=O)C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCOC(=O)C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C32H56O3/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-35-30(34)26-24-27(31(2,3)4)29(33)28(25-26)32(5,6)7/h24-25,33H,8-23H2,1-7H3