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

Systemtic Name: 2-(2-oxidanylidene-6-phenethyl-1,4-oxathian-3-yl)ethanoic acid Openeye Name: 2-(2-oxo-6-phenethyl-1,4-oxathian-3-yl)acetic acid CAS Name: 2-(2-oxo-6-phenethyl-1,4-oxathian-3-yl)acetic acid IUPAC Name: 2-(2-oxo-6-phenethyl-1,4-oxathian-3-yl)acetic acid Traditional Name: 2-(2-keto-6-phenethyl-1,4-oxathian-3-yl)acetic acid Formula: C14H16O4S MolecularWeight: 280.33944

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(=O)C(S1)CC(=O)O)CCC2=CC=CC=C2

Isomeric SMILES

C1C(OC(=O)C(S1)CC(=O)O)CCC2=CC=CC=C2

InChI

InChI=1S/C14H16O4S/c15-13(16)8-12-14(17)18-11(9-19-12)7-6-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2,(H,15,16)