2-(2-oxidanylidene-6-pentyl-1,4-oxathian-3-yl)ethanoic acid

Systemtic Name: 2-(2-oxidanylidene-6-pentyl-1,4-oxathian-3-yl)ethanoic acid Openeye Name: 2-(2-oxo-6-pentyl-1,4-oxathian-3-yl)acetic acid CAS Name: 2-(2-oxo-6-pentyl-1,4-oxathian-3-yl)acetic acid IUPAC Name: 2-(2-oxo-6-pentyl-1,4-oxathian-3-yl)acetic acid Traditional Name: 2-(6-amyl-2-keto-1,4-oxathian-3-yl)acetic acid Formula: C11H18O4S MolecularWeight: 246.32322

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CSC(C(=O)O1)CC(=O)O

Isomeric SMILES

CCCCCC1CSC(C(=O)O1)CC(=O)O

InChI

InChI=1S/C11H18O4S/c1-2-3-4-5-8-7-16-9(6-10(12)13)11(14)15-8/h8-9H,2-7H2,1H3,(H,12,13)