methyl 4-(3-sulfanylphenyl)oxane-4-carboxylate

Systemtic Name: methyl 4-(3-sulfanylphenyl)oxane-4-carboxylate Openeye Name: methyl 4-(3-sulfanylphenyl)tetrahydropyran-4-carboxylate CAS Name: 4-(3-mercaptophenyl)-4-oxanecarboxylic acid methyl ester IUPAC Name: methyl 4-(3-sulfanylphenyl)oxane-4-carboxylate Traditional Name: 4-(3-mercaptophenyl)tetrahydropyran-4-carboxylic acid methyl ester Formula: C13H16O3S MolecularWeight: 252.32934

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCOCC1)C2=CC(=CC=C2)S

Isomeric SMILES

COC(=O)C1(CCOCC1)C2=CC(=CC=C2)S

InChI

InChI=1S/C13H16O3S/c1-15-12(14)13(5-7-16-8-6-13)10-3-2-4-11(17)9-10/h2-4,9,17H,5-8H2,1H3