2-oxidanyl-3-phenethylsulfanyl-6-(3-phenylmethoxyphenyl)pyran-4-one

Systemtic Name: 2-oxidanyl-3-phenethylsulfanyl-6-(3-phenylmethoxyphenyl)pyran-4-one Openeye Name: 6-(3-benzyloxyphenyl)-2-hydroxy-3-phenethylsulfanyl-pyran-4-one CAS Name: 2-hydroxy-3-(phenethylthio)-6-(3-phenylmethoxyphenyl)-4-pyranone IUPAC Name: 2-hydroxy-3-phenethylsulfanyl-6-(3-phenylmethoxyphenyl)pyran-4-one Traditional Name: 6-(3-benzoxyphenyl)-2-hydroxy-3-(phenethylthio)pyran-4-one Formula: C26H22O4S MolecularWeight: 430.51548

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCSC2=C(OC(=CC2=O)C3=CC(=CC=C3)OCC4=CC=CC=C4)O

Isomeric SMILES

C1=CC=C(C=C1)CCSC2=C(OC(=CC2=O)C3=CC(=CC=C3)OCC4=CC=CC=C4)O

InChI

InChI=1S/C26H22O4S/c27-23-17-24(30-26(28)25(23)31-15-14-19-8-3-1-4-9-19)21-12-7-13-22(16-21)29-18-20-10-5-2-6-11-20/h1-13,16-17,28H,14-15,18H2