2-(oxan-2-ylsulfanylmethyl)-3-phenyl-propanoic acid

Systemtic Name: 2-(oxan-2-ylsulfanylmethyl)-3-phenyl-propanoic acid Openeye Name: 2-benzyl-3-tetrahydropyran-2-ylsulfanyl-propanoic acid CAS Name: 2-[(2-oxanylthio)methyl]-3-phenylpropanoic acid IUPAC Name: 2-benzyl-3-(oxan-2-ylsulfanyl)propanoic acid Traditional Name: 2-benzyl-3-(tetrahydropyran-2-ylthio)propionic acid Formula: C15H20O3S MolecularWeight: 280.3825

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)SCC(CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

C1CCOC(C1)SCC(CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C15H20O3S/c16-15(17)13(10-12-6-2-1-3-7-12)11-19-14-8-4-5-9-18-14/h1-3,6-7,13-14H,4-5,8-11H2,(H,16,17)