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6-methyl-3-oxidanylidene-2-sulfanyl-heptanoic acid

6-methyl-3-oxidanylidene-2-sulfanyl-heptanoic acid

Systemtic Name:6-methyl-3-oxidanylidene-2-sulfanyl-heptanoic acid
Openeye Name:6-methyl-3-oxo-2-sulfanyl-heptanoic acid
CAS Name:2-mercapto-6-methyl-3-oxoheptanoic acid
IUPAC Name:6-methyl-3-oxo-2-sulfanylheptanoic acid
Traditional Name:3-keto-2-mercapto-6-methyl-enanthic acid
Formula: C8H14O3S
MolecularWeight: 190.25996
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(=O)C(C(=O)O)S


Isomeric SMILES

CC(C)CCC(=O)C(C(=O)O)S


InChI

InChI=1S/C8H14O3S/c1-5(2)3-4-6(9)7(12)8(10)11/h5,7,12H,3-4H2,1-2H3,(H,10,11)


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