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

Systemtic Name: 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-methyl-1-(phenylmethylsulfanyl)butyl]-2-oxidanyl-pyran-4-one Openeye Name: 3-(1-benzylsulfanyl-3-methyl-butyl)-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-[3-methyl-1-(phenylmethylthio)butyl]-4-pyranone IUPAC Name: 3-(1-benzylsulfanyl-3-methylbutyl)-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxypyran-4-one Traditional Name: 3-[1-(benzylthio)-3-methyl-butyl]-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxy-pyran-4-one Formula: C25H26O5S MolecularWeight: 438.53594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=C(OC(=CC1=O)C2=CC3=C(C=C2)OCCO3)O)SCC4=CC=CC=C4

Isomeric SMILES

CC(C)CC(C1=C(OC(=CC1=O)C2=CC3=C(C=C2)OCCO3)O)SCC4=CC=CC=C4

InChI

InChI=1S/C25H26O5S/c1-16(2)12-23(31-15-17-6-4-3-5-7-17)24-19(26)14-21(30-25(24)27)18-8-9-20-22(13-18)29-11-10-28-20/h3-9,13-14,16,23,27H,10-12,15H2,1-2H3