3-(3,5-ditert-butyl-2-octadecyl-4-oxidanyl-phenyl)propanoate

Systemtic Name: 3-(3,5-ditert-butyl-2-octadecyl-4-oxidanyl-phenyl)propanoate Openeye Name: 3-(3,5-ditert-butyl-4-hydroxy-2-octadecyl-phenyl)propanoate CAS Name: 3-(3,5-ditert-butyl-4-hydroxy-2-octadecylphenyl)propanoate IUPAC Name: 3-(3,5-ditert-butyl-4-hydroxy-2-octadecylphenyl)propanoate Traditional Name: 3-(3,5-ditert-butyl-4-hydroxy-2-stearyl-phenyl)propionate Formula: C35H61O3- MolecularWeight: 529.85704

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC1=C(C(=C(C=C1CCC(=O)[O-])C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC1=C(C(=C(C=C1CCC(=O)[O-])C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C35H62O3/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-29-28(25-26-31(36)37)27-30(34(2,3)4)33(38)32(29)35(5,6)7/h27,38H,8-26H2,1-7H3,(H,36,37)/p-1