[1-(3,4-dimethylphenyl)-1-oxidanylidene-propan-2-yl] 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoate

Systemtic Name: [1-(3,4-dimethylphenyl)-1-oxidanylidene-propan-2-yl] 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoate Openeye Name: [2-(3,4-dimethylphenyl)-1-methyl-2-oxo-ethyl] 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoate CAS Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoic acid [1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoate Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propionic acid [2-(3,4-dimethylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C22H24O7S MolecularWeight: 432.48676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)C(C)OC(=O)CCS(=O)(=O)C2=CC3=C(C=C2)OCCO3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)C(C)OC(=O)CCS(=O)(=O)C2=CC3=C(C=C2)OCCO3)C

InChI

InChI=1S/C22H24O7S/c1-14-4-5-17(12-15(14)2)22(24)16(3)29-21(23)8-11-30(25,26)18-6-7-19-20(13-18)28-10-9-27-19/h4-7,12-13,16H,8-11H2,1-3H3