2-ethanoyl-3-sulfanyl-heptanoic acid

Systemtic Name: 2-ethanoyl-3-sulfanyl-heptanoic acid Openeye Name: 2-acetyl-3-sulfanyl-heptanoic acid CAS Name: 2-acetyl-3-mercaptoheptanoic acid IUPAC Name: 2-acetyl-3-sulfanylheptanoic acid Traditional Name: 2-acetyl-3-mercapto-enanthic acid Formula: C9H16O3S MolecularWeight: 204.28654

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(C(=O)C)C(=O)O)S

Isomeric SMILES

CCCCC(C(C(=O)C)C(=O)O)S

InChI

InChI=1S/C9H16O3S/c1-3-4-5-7(13)8(6(2)10)9(11)12/h7-8,13H,3-5H2,1-2H3,(H,11,12)