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

Systemtic Name: 2-(6-methyl-2-oxidanylidene-6-pentyl-1,4-oxathian-3-yl)ethanoic acid Openeye Name: 2-(6-methyl-2-oxo-6-pentyl-1,4-oxathian-3-yl)acetic acid CAS Name: 2-(6-methyl-2-oxo-6-pentyl-1,4-oxathian-3-yl)acetic acid IUPAC Name: 2-(6-methyl-2-oxo-6-pentyl-1,4-oxathian-3-yl)acetic acid Traditional Name: 2-(6-amyl-2-keto-6-methyl-1,4-oxathian-3-yl)acetic acid Formula: C12H20O4S MolecularWeight: 260.3498

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1(CSC(C(=O)O1)CC(=O)O)C

Isomeric SMILES

CCCCCC1(CSC(C(=O)O1)CC(=O)O)C

InChI

InChI=1S/C12H20O4S/c1-3-4-5-6-12(2)8-17-9(7-10(13)14)11(15)16-12/h9H,3-8H2,1-2H3,(H,13,14)