2-(ethanoylsulfanylmethyl)-6-methyl-5-oxidanylidene-heptanoic acid

Systemtic Name: 2-(ethanoylsulfanylmethyl)-6-methyl-5-oxidanylidene-heptanoic acid Openeye Name: 2-(acetylsulfanylmethyl)-6-methyl-5-oxo-heptanoic acid CAS Name: 2-[(acetylthio)methyl]-6-methyl-5-oxoheptanoic acid IUPAC Name: 2-(acetylsulfanylmethyl)-6-methyl-5-oxoheptanoic acid Traditional Name: 2-[(acetylthio)methyl]-5-keto-6-methyl-enanthic acid Formula: C11H18O4S MolecularWeight: 246.32322

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)CCC(CSC(=O)C)C(=O)O

Isomeric SMILES

CC(C)C(=O)CCC(CSC(=O)C)C(=O)O

InChI

InChI=1S/C11H18O4S/c1-7(2)10(13)5-4-9(11(14)15)6-16-8(3)12/h7,9H,4-6H2,1-3H3,(H,14,15)