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

Systemtic Name: 2-(3,6-dimethyl-2-oxidanylidene-6-pentyl-1,4-oxathian-3-yl)ethanoic acid Openeye Name: 2-(3,6-dimethyl-2-oxo-6-pentyl-1,4-oxathian-3-yl)acetic acid CAS Name: 2-(3,6-dimethyl-2-oxo-6-pentyl-1,4-oxathian-3-yl)acetic acid IUPAC Name: 2-(3,6-dimethyl-2-oxo-6-pentyl-1,4-oxathian-3-yl)acetic acid Traditional Name: 2-(6-amyl-2-keto-3,6-dimethyl-1,4-oxathian-3-yl)acetic acid Formula: C13H22O4S MolecularWeight: 274.37638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H22O4S/c1-4-5-6-7-12(2)9-18-13(3,8-10(14)15)11(16)17-12/h4-9H2,1-3H3,(H,14,15)