6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanyl-3-(phenylmethylsulfanyl)pyran-4-one

Systemtic Name: 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanyl-3-(phenylmethylsulfanyl)pyran-4-one Openeye Name: 3-benzylsulfanyl-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxy-pyran-4-one CAS Name: 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxy-3-(phenylmethylthio)-4-pyranone IUPAC Name: 3-benzylsulfanyl-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxypyran-4-one Traditional Name: 3-(benzylthio)-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxy-pyran-4-one Formula: C20H16O5S MolecularWeight: 368.40304

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C3=CC(=O)C(=C(O3)O)SCC4=CC=CC=C4

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C3=CC(=O)C(=C(O3)O)SCC4=CC=CC=C4

InChI

InChI=1S/C20H16O5S/c21-15-11-17(14-6-7-16-18(10-14)24-9-8-23-16)25-20(22)19(15)26-12-13-4-2-1-3-5-13/h1-7,10-11,22H,8-9,12H2