7-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanylheptanoic acid

Systemtic Name: 7-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanylheptanoic acid Openeye Name: 7-(3,5-ditert-butyl-4-hydroxy-phenyl)sulfanylheptanoic acid CAS Name: 7-[(3,5-ditert-butyl-4-hydroxyphenyl)thio]heptanoic acid IUPAC Name: 7-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylheptanoic acid Traditional Name: 7-[(3,5-ditert-butyl-4-hydroxy-phenyl)thio]enanthic acid Formula: C21H34O3S MolecularWeight: 366.55786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H34O3S/c1-20(2,3)16-13-15(14-17(19(16)24)21(4,5)6)25-12-10-8-7-9-11-18(22)23/h13-14,24H,7-12H2,1-6H3,(H,22,23)