2-(oxan-4-yl)-2-(phenylmethylsulfanyl)propanoic acid

Systemtic Name: 2-(oxan-4-yl)-2-(phenylmethylsulfanyl)propanoic acid Openeye Name: 2-benzylsulfanyl-2-tetrahydropyran-4-yl-propanoic acid CAS Name: 2-(4-oxanyl)-2-(phenylmethylthio)propanoic acid IUPAC Name: 2-benzylsulfanyl-2-(oxan-4-yl)propanoic acid Traditional Name: 2-(benzylthio)-2-tetrahydropyran-4-yl-propionic acid Formula: C15H20O3S MolecularWeight: 280.3825

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCOCC1)(C(=O)O)SCC2=CC=CC=C2

Isomeric SMILES

CC(C1CCOCC1)(C(=O)O)SCC2=CC=CC=C2

InChI

InChI=1S/C15H20O3S/c1-15(14(16)17,13-7-9-18-10-8-13)19-11-12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3,(H,16,17)