2-methyl-2-(2-methyl-1-oxidanyl-1-oxidanylidene-heptan-2-yl)sulfanyl-heptanoic acid

Systemtic Name: 2-methyl-2-(2-methyl-1-oxidanyl-1-oxidanylidene-heptan-2-yl)sulfanyl-heptanoic acid Openeye Name: 2-(1-carboxy-1-methyl-hexyl)sulfanyl-2-methyl-heptanoic acid CAS Name: 2-[(1-hydroxy-2-methyl-1-oxoheptan-2-yl)thio]-2-methylheptanoic acid IUPAC Name: 2-(1-hydroxy-2-methyl-1-oxoheptan-2-yl)sulfanyl-2-methylheptanoic acid Traditional Name: 2-[(1-carboxy-1-methyl-hexyl)thio]-2-methyl-enanthic acid Formula: C16H30O4S MolecularWeight: 318.472

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)(C(=O)O)SC(C)(CCCCC)C(=O)O

Isomeric SMILES

CCCCCC(C)(C(=O)O)SC(C)(CCCCC)C(=O)O

InChI

InChI=1S/C16H30O4S/c1-5-7-9-11-15(3,13(17)18)21-16(4,14(19)20)12-10-8-6-2/h5-12H2,1-4H3,(H,17,18)(H,19,20)