2-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]-4-ethyl-2-sulfanyl-octanoic acid

Systemtic Name: 2-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]-4-ethyl-2-sulfanyl-octanoic acid Openeye Name: 2-[(3,5-ditert-butyl-4-hydroxy-phenyl)methyl]-4-ethyl-2-sulfanyl-octanoic acid CAS Name: 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-4-ethyl-2-mercaptooctanoic acid IUPAC Name: 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-4-ethyl-2-sulfanyloctanoic acid Traditional Name: 2-(3,5-ditert-butyl-4-hydroxy-benzyl)-4-ethyl-2-mercapto-caprylic acid Formula: C25H42O3S MolecularWeight: 422.66418

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CC(CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)(C(=O)O)S

Isomeric SMILES

CCCCC(CC)CC(CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)(C(=O)O)S

InChI

InChI=1S/C25H42O3S/c1-9-11-12-17(10-2)15-25(29,22(27)28)16-18-13-19(23(3,4)5)21(26)20(14-18)24(6,7)8/h13-14,17,26,29H,9-12,15-16H2,1-8H3,(H,27,28)