(2-oxidanylidene-4-propan-2-yl-chromen-7-yl) 2,3-dihydro-1,4-benzodioxine-6-sulfonate

Systemtic Name: (2-oxidanylidene-4-propan-2-yl-chromen-7-yl) 2,3-dihydro-1,4-benzodioxine-6-sulfonate Openeye Name: (4-isopropyl-2-oxo-chromen-7-yl) 2,3-dihydro-1,4-benzodioxine-6-sulfonate CAS Name: 2,3-dihydro-1,4-benzodioxin-6-sulfonic acid (2-oxo-4-propan-2-yl-1-benzopyran-7-yl) ester IUPAC Name: (2-oxo-4-propan-2-ylchromen-7-yl) 2,3-dihydro-1,4-benzodioxine-6-sulfonate Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-sulfonic acid (4-isopropyl-2-keto-chromen-7-yl) ester Formula: C20H18O7S MolecularWeight: 402.41772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=O)OC2=C1C=CC(=C2)OS(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC(C)C1=CC(=O)OC2=C1C=CC(=C2)OS(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C20H18O7S/c1-12(2)16-11-20(21)26-18-9-13(3-5-15(16)18)27-28(22,23)14-4-6-17-19(10-14)25-8-7-24-17/h3-6,9-12H,7-8H2,1-2H3