3-[2-(3-tert-butyl-4-carboxy-hexyl)sulfanylethyl]-2-ethyl-4,4-dimethyl-pentanoic acid

Systemtic Name: 3-[2-(3-tert-butyl-4-carboxy-hexyl)sulfanylethyl]-2-ethyl-4,4-dimethyl-pentanoic acid Openeye Name: 3-[2-(3-tert-butyl-4-carboxy-hexyl)sulfanylethyl]-2-ethyl-4,4-dimethyl-pentanoic acid CAS Name: 3-[2-[(3-tert-butyl-4-carboxyhexyl)thio]ethyl]-2-ethyl-4,4-dimethylpentanoic acid IUPAC Name: 3-[2-(3-tert-butyl-4-carboxyhexyl)sulfanylethyl]-2-ethyl-4,4-dimethylpentanoic acid Traditional Name: 3-[2-[(3-tert-butyl-4-carboxy-hexyl)thio]ethyl]-2-ethyl-4,4-dimethyl-valeric acid Formula: C22H42O4S MolecularWeight: 402.63148

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(CCSCCC(C(CC)C(=O)O)C(C)(C)C)C(C)(C)C)C(=O)O

Isomeric SMILES

CCC(C(CCSCCC(C(CC)C(=O)O)C(C)(C)C)C(C)(C)C)C(=O)O

InChI

InChI=1S/C22H42O4S/c1-9-15(19(23)24)17(21(3,4)5)11-13-27-14-12-18(22(6,7)8)16(10-2)20(25)26/h15-18H,9-14H2,1-8H3,(H,23,24)(H,25,26)