4-methyl-3-[2-(5-oxidanyl-5-oxidanylidene-3-propan-2-yl-pentyl)sulfanylethyl]pentanoic acid

Systemtic Name: 4-methyl-3-[2-(5-oxidanyl-5-oxidanylidene-3-propan-2-yl-pentyl)sulfanylethyl]pentanoic acid Openeye Name: 3-[2-(5-hydroxy-3-isopropyl-5-oxo-pentyl)sulfanylethyl]-4-methyl-pentanoic acid CAS Name: 3-[2-[(5-hydroxy-5-oxo-3-propan-2-ylpentyl)thio]ethyl]-4-methylpentanoic acid IUPAC Name: 3-[2-(5-hydroxy-5-oxo-3-propan-2-ylpentyl)sulfanylethyl]-4-methylpentanoic acid Traditional Name: 3-[2-[(5-hydroxy-3-isopropyl-5-keto-pentyl)thio]ethyl]-4-methyl-valeric acid Formula: C16H30O4S MolecularWeight: 318.472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H30O4S/c1-11(2)13(9-15(17)18)5-7-21-8-6-14(12(3)4)10-16(19)20/h11-14H,5-10H2,1-4H3,(H,17,18)(H,19,20)