4-(1,3-benzodioxol-5-ylsulfonyl)butan-2-one

Systemtic Name: 4-(1,3-benzodioxol-5-ylsulfonyl)butan-2-one Openeye Name: 4-(1,3-benzodioxol-5-ylsulfonyl)butan-2-one CAS Name: 4-(1,3-benzodioxol-5-ylsulfonyl)-2-butanone IUPAC Name: 4-(1,3-benzodioxol-5-ylsulfonyl)butan-2-one Traditional Name: 4-(1,3-benzodioxol-5-ylsulfonyl)butan-2-one Formula: C11H12O5S MolecularWeight: 256.27498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCS(=O)(=O)C1=CC2=C(C=C1)OCO2

Isomeric SMILES

CC(=O)CCS(=O)(=O)C1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C11H12O5S/c1-8(12)4-5-17(13,14)9-2-3-10-11(6-9)16-7-15-10/h2-3,6H,4-5,7H2,1H3