2-[2-oxidanylidene-6-(phenylmethyl)-1,4-oxathian-3-yl]ethanoic acid

Systemtic Name: 2-[2-oxidanylidene-6-(phenylmethyl)-1,4-oxathian-3-yl]ethanoic acid Openeye Name: 2-(6-benzyl-2-oxo-1,4-oxathian-3-yl)acetic acid CAS Name: 2-[2-oxo-6-(phenylmethyl)-1,4-oxathian-3-yl]acetic acid IUPAC Name: 2-(6-benzyl-2-oxo-1,4-oxathian-3-yl)acetic acid Traditional Name: 2-(6-benzyl-2-keto-1,4-oxathian-3-yl)acetic acid Formula: C13H14O4S MolecularWeight: 266.31286

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(=O)C(S1)CC(=O)O)CC2=CC=CC=C2

Isomeric SMILES

C1C(OC(=O)C(S1)CC(=O)O)CC2=CC=CC=C2

InChI

InChI=1S/C13H14O4S/c14-12(15)7-11-13(16)17-10(8-18-11)6-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H,14,15)