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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC(O1)CSCCC(=O)O)C2=CC=CC=C2

Isomeric SMILES

CC1(OCC(O1)CSCCC(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C14H18O4S/c1-14(11-5-3-2-4-6-11)17-9-12(18-14)10-19-8-7-13(15)16/h2-6,12H,7-10H2,1H3,(H,15,16)