3-[3-(2-methoxyoxan-4-yl)phenyl]propanethioic S-acid

Systemtic Name: 3-[3-(2-methoxyoxan-4-yl)phenyl]propanethioic S-acid Openeye Name: 3-[3-(2-methoxytetrahydropyran-4-yl)phenyl]propanethioic S-acid CAS Name: 3-[3-(2-methoxy-4-oxanyl)phenyl]propanethioic S-acid IUPAC Name: 3-[3-(2-methoxyoxan-4-yl)phenyl]propanethioic S-acid Traditional Name: 3-[3-(2-methoxytetrahydropyran-4-yl)phenyl]thiopropionic acid Formula: C15H20O3S MolecularWeight: 280.3825

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Descriptors Computed from Structure

Canonical SMILES:

COC1CC(CCO1)C2=CC(=CC=C2)CCC(=O)S

Isomeric SMILES

COC1CC(CCO1)C2=CC(=CC=C2)CCC(=O)S

InChI

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