3-(3,5-ditert-butyl-2-dodecyl-4-oxidanyl-phenyl)propanoic acid

Systemtic Name: 3-(3,5-ditert-butyl-2-dodecyl-4-oxidanyl-phenyl)propanoic acid Openeye Name: 3-(3,5-ditert-butyl-2-dodecyl-4-hydroxy-phenyl)propanoic acid CAS Name: 3-(3,5-ditert-butyl-2-dodecyl-4-hydroxyphenyl)propanoic acid IUPAC Name: 3-(3,5-ditert-butyl-2-dodecyl-4-hydroxyphenyl)propanoic acid Traditional Name: 3-(3,5-ditert-butyl-4-hydroxy-2-lauryl-phenyl)propionic acid Formula: C29H50O3 MolecularWeight: 446.7055

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=C(C(=C(C=C1CCC(=O)O)C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCC1=C(C(=C(C=C1CCC(=O)O)C(C)(C)C)O)C(C)(C)C

InChI

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