methyl 4-[3-(4-phenylphenoxy)propylsulfanylmethyl]oxane-4-carboxylate

Systemtic Name: methyl 4-[3-(4-phenylphenoxy)propylsulfanylmethyl]oxane-4-carboxylate Openeye Name: methyl 4-[3-(4-phenylphenoxy)propylsulfanylmethyl]tetrahydropyran-4-carboxylate CAS Name: 4-[[3-(4-phenylphenoxy)propylthio]methyl]-4-oxanecarboxylic acid methyl ester IUPAC Name: methyl 4-[3-(4-phenylphenoxy)propylsulfanylmethyl]oxane-4-carboxylate Traditional Name: 4-[[3-(4-phenylphenoxy)propylthio]methyl]tetrahydropyran-4-carboxylic acid methyl ester Formula: C23H28O4S MolecularWeight: 400.53102

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCOCC1)CSCCCOC2=CC=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1(CCOCC1)CSCCCOC2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C23H28O4S/c1-25-22(24)23(12-15-26-16-13-23)18-28-17-5-14-27-21-10-8-20(9-11-21)19-6-3-2-4-7-19/h2-4,6-11H,5,12-18H2,1H3