3-(1,3-benzodioxol-5-ylmethylsulfanyl)-2-oxidanyl-6-phenyl-pyran-4-one

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-2-oxidanyl-6-phenyl-pyran-4-one Openeye Name: 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-2-hydroxy-6-phenyl-pyran-4-one CAS Name: 3-(1,3-benzodioxol-5-ylmethylthio)-2-hydroxy-6-phenyl-4-pyranone IUPAC Name: 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-2-hydroxy-6-phenylpyran-4-one Traditional Name: 2-hydroxy-6-phenyl-3-(piperonylthio)pyran-4-one Formula: C19H14O5S MolecularWeight: 354.37646

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CSC3=C(OC(=CC3=O)C4=CC=CC=C4)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CSC3=C(OC(=CC3=O)C4=CC=CC=C4)O

InChI

InChI=1S/C19H14O5S/c20-14-9-16(13-4-2-1-3-5-13)24-19(21)18(14)25-10-12-6-7-15-17(8-12)23-11-22-15/h1-9,21H,10-11H2