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

Systemtic Name: 2-[3-(phenylmethyl)-1,2-oxathian-3-yl]ethanoic acid Openeye Name: 2-(3-benzyloxathian-3-yl)acetic acid CAS Name: 2-[3-(phenylmethyl)-3-oxathianyl]acetic acid IUPAC Name: 2-(3-benzyloxathian-3-yl)acetic acid Traditional Name: 2-(3-benzyloxathian-3-yl)acetic acid Formula: C13H16O3S MolecularWeight: 252.32934

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(SOC1)(CC2=CC=CC=C2)CC(=O)O

Isomeric SMILES

C1CC(SOC1)(CC2=CC=CC=C2)CC(=O)O

InChI

InChI=1S/C13H16O3S/c14-12(15)10-13(7-4-8-16-17-13)9-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2,(H,14,15)