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

Systemtic Name: 3-(1-cyclohexylsulfanyl-3-methyl-butyl)-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanyl-pyran-4-one Openeye Name: 3-(1-cyclohexylsulfanyl-3-methyl-butyl)-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxy-pyran-4-one CAS Name: 3-[1-(cyclohexylthio)-3-methylbutyl]-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxy-4-pyranone IUPAC Name: 3-(1-cyclohexylsulfanyl-3-methylbutyl)-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxypyran-4-one Traditional Name: 3-[1-(cyclohexylthio)-3-methyl-butyl]-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxy-pyran-4-one Formula: C24H30O5S MolecularWeight: 430.557

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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)SC4CCCCC4

Isomeric SMILES

CC(C)CC(C1=C(OC(=CC1=O)C2=CC3=C(C=C2)OCCO3)O)SC4CCCCC4

InChI

InChI=1S/C24H30O5S/c1-15(2)12-22(30-17-6-4-3-5-7-17)23-18(25)14-20(29-24(23)26)16-8-9-19-21(13-16)28-11-10-27-19/h8-9,13-15,17,22,26H,3-7,10-12H2,1-2H3