(3,3-dimethyl-2-oxidanylidene-butyl) 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoate CAS Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoate Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propionic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C17H22O7S MolecularWeight: 370.41738

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)CCS(=O)(=O)C1=CC2=C(C=C1)OCCO2

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)CCS(=O)(=O)C1=CC2=C(C=C1)OCCO2

InChI

InChI=1S/C17H22O7S/c1-17(2,3)15(18)11-24-16(19)6-9-25(20,21)12-4-5-13-14(10-12)23-8-7-22-13/h4-5,10H,6-9,11H2,1-3H3