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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CSC(C(=O)O1)CC(=O)O)CC2=CC=CC=C2

Isomeric SMILES

CC1(CSC(C(=O)O1)CC(=O)O)CC2=CC=CC=C2

InChI

InChI=1S/C14H16O4S/c1-14(8-10-5-3-2-4-6-10)9-19-11(7-12(15)16)13(17)18-14/h2-6,11H,7-9H2,1H3,(H,15,16)