5-(3-methyl-1,2-benzodioxol-3-yl)-1-methylsulfonyl-pentan-2-one

Systemtic Name: 5-(3-methyl-1,2-benzodioxol-3-yl)-1-methylsulfonyl-pentan-2-one Openeye Name: 5-(3-methyl-1,2-benzodioxol-3-yl)-1-methylsulfonyl-pentan-2-one CAS Name: 5-(3-methyl-1,2-benzodioxol-3-yl)-1-methylsulfonyl-2-pentanone IUPAC Name: 5-(3-methyl-1,2-benzodioxol-3-yl)-1-methylsulfonylpentan-2-one Traditional Name: 1-mesyl-5-(3-methyl-1,2-benzodioxol-3-yl)pentan-2-one Formula: C14H18O5S MolecularWeight: 298.35472

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2OO1)CCCC(=O)CS(=O)(=O)C

Isomeric SMILES

CC1(C2=CC=CC=C2OO1)CCCC(=O)CS(=O)(=O)C

InChI

InChI=1S/C14H18O5S/c1-14(9-5-6-11(15)10-20(2,16)17)12-7-3-4-8-13(12)18-19-14/h3-4,7-8H,5-6,9-10H2,1-2H3