2-[(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methylsulfanyl]propanoic acid

Systemtic Name: 2-[(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methylsulfanyl]propanoic acid Openeye Name: 2-[(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methylsulfanyl]propanoic acid CAS Name: 2-[(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methylthio]propanoic acid IUPAC Name: 2-[(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methylsulfanyl]propanoic acid Traditional Name: 2-[(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methylthio]propionic acid Formula: C14H18O4S MolecularWeight: 282.35532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SCC1COC(O1)(C)C2=CC=CC=C2

Isomeric SMILES

CC(C(=O)O)SCC1COC(O1)(C)C2=CC=CC=C2

InChI

InChI=1S/C14H18O4S/c1-10(13(15)16)19-9-12-8-17-14(2,18-12)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H,15,16)