12-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanyldodecanoic acid

Systemtic Name: 12-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanyldodecanoic acid Openeye Name: 12-(3,5-ditert-butyl-4-hydroxy-phenyl)sulfanyldodecanoic acid CAS Name: 12-[(3,5-ditert-butyl-4-hydroxyphenyl)thio]dodecanoic acid IUPAC Name: 12-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanyldodecanoic acid Traditional Name: 12-[(3,5-ditert-butyl-4-hydroxy-phenyl)thio]lauric acid Formula: C26H44O3S MolecularWeight: 436.69076

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SCCCCCCCCCCCC(=O)O

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SCCCCCCCCCCCC(=O)O

InChI

InChI=1S/C26H44O3S/c1-25(2,3)21-18-20(19-22(24(21)29)26(4,5)6)30-17-15-13-11-9-7-8-10-12-14-16-23(27)28/h18-19,29H,7-17H2,1-6H3,(H,27,28)