6-(3-methoxy-4-phenylmethoxy-phenyl)-2-oxidanyl-3-phenethylsulfanyl-pyran-4-one

Systemtic Name: 6-(3-methoxy-4-phenylmethoxy-phenyl)-2-oxidanyl-3-phenethylsulfanyl-pyran-4-one Openeye Name: 6-(4-benzyloxy-3-methoxy-phenyl)-2-hydroxy-3-phenethylsulfanyl-pyran-4-one CAS Name: 2-hydroxy-6-(3-methoxy-4-phenylmethoxyphenyl)-3-(phenethylthio)-4-pyranone IUPAC Name: 2-hydroxy-6-(3-methoxy-4-phenylmethoxyphenyl)-3-phenethylsulfanylpyran-4-one Traditional Name: 6-(4-benzoxy-3-methoxy-phenyl)-2-hydroxy-3-(phenethylthio)pyran-4-one Formula: C27H24O5S MolecularWeight: 460.54146

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=CC(=O)C(=C(O2)O)SCCC3=CC=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)C2=CC(=O)C(=C(O2)O)SCCC3=CC=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C27H24O5S/c1-30-25-16-21(12-13-23(25)31-18-20-10-6-3-7-11-20)24-17-22(28)26(27(29)32-24)33-15-14-19-8-4-2-5-9-19/h2-13,16-17,29H,14-15,18H2,1H3