2-[2-[1-oxidanyl-2-(2,4,6-trimethylphenyl)sulfonyloxy-ethyl]-2,3-dihydro-1-benzofuran-5-yl]ethanoate

Systemtic Name: 2-[2-[1-oxidanyl-2-(2,4,6-trimethylphenyl)sulfonyloxy-ethyl]-2,3-dihydro-1-benzofuran-5-yl]ethanoate Openeye Name: 2-[2-[1-hydroxy-2-(2,4,6-trimethylphenyl)sulfonyloxy-ethyl]-2,3-dihydrobenzofuran-5-yl]acetate CAS Name: 2-[2-[1-hydroxy-2-(2,4,6-trimethylphenyl)sulfonyloxyethyl]-2,3-dihydrobenzofuran-5-yl]acetate IUPAC Name: 2-[2-[1-hydroxy-2-(2,4,6-trimethylphenyl)sulfonyloxyethyl]-2,3-dihydro-1-benzofuran-5-yl]acetate Traditional Name: 2-[2-(1-hydroxy-2-mesitylsulfonyloxy-ethyl)coumaran-5-yl]acetate Formula: C21H23O7S- MolecularWeight: 419.46812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)OCC(C2CC3=C(O2)C=CC(=C3)CC(=O)[O-])O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)OCC(C2CC3=C(O2)C=CC(=C3)CC(=O)[O-])O)C

InChI

InChI=1S/C21H24O7S/c1-12-6-13(2)21(14(3)7-12)29(25,26)27-11-17(22)19-10-16-8-15(9-20(23)24)4-5-18(16)28-19/h4-8,17,19,22H,9-11H2,1-3H3,(H,23,24)/p-1