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

Systemtic Name: 2-(2-methoxyoxan-4-yl)-2-(phenylmethylsulfanyl)propanoic acid Openeye Name: 2-benzylsulfanyl-2-(2-methoxytetrahydropyran-4-yl)propanoic acid CAS Name: 2-(2-methoxy-4-oxanyl)-2-(phenylmethylthio)propanoic acid IUPAC Name: 2-benzylsulfanyl-2-(2-methoxyoxan-4-yl)propanoic acid Traditional Name: 2-(benzylthio)-2-(2-methoxytetrahydropyran-4-yl)propionic acid Formula: C16H22O4S MolecularWeight: 310.40848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCOC(C1)OC)(C(=O)O)SCC2=CC=CC=C2

Isomeric SMILES

CC(C1CCOC(C1)OC)(C(=O)O)SCC2=CC=CC=C2

InChI

InChI=1S/C16H22O4S/c1-16(15(17)18,13-8-9-20-14(10-13)19-2)21-11-12-6-4-3-5-7-12/h3-7,13-14H,8-11H2,1-2H3,(H,17,18)