2-[(4-methylsulfanylphenyl)-(oxan-2-yloxy)methyl]-3-phenylmethoxy-pyran-4-one

Systemtic Name: 2-[(4-methylsulfanylphenyl)-(oxan-2-yloxy)methyl]-3-phenylmethoxy-pyran-4-one Openeye Name: 3-benzyloxy-2-[(4-methylsulfanylphenyl)-tetrahydropyran-2-yloxy-methyl]pyran-4-one CAS Name: 2-[[4-(methylthio)phenyl]-(2-oxanyloxy)methyl]-3-phenylmethoxy-4-pyranone IUPAC Name: 2-[(4-methylsulfanylphenyl)-(oxan-2-yloxy)methyl]-3-phenylmethoxypyran-4-one Traditional Name: 3-benzoxy-2-[[4-(methylthio)phenyl]-tetrahydropyran-2-yloxy-methyl]pyran-4-one Formula: C25H26O5S MolecularWeight: 438.53594

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(C2=C(C(=O)C=CO2)OCC3=CC=CC=C3)OC4CCCCO4

Isomeric SMILES

CSC1=CC=C(C=C1)C(C2=C(C(=O)C=CO2)OCC3=CC=CC=C3)OC4CCCCO4

InChI

InChI=1S/C25H26O5S/c1-31-20-12-10-19(11-13-20)23(30-22-9-5-6-15-27-22)25-24(21(26)14-16-28-25)29-17-18-7-3-2-4-8-18/h2-4,7-8,10-14,16,22-23H,5-6,9,15,17H2,1H3