(2,2-dimethyl-3H-1-benzofuran-7-yl) 2,3-dihydro-1,4-benzodioxine-6-sulfonate

Systemtic Name: (2,2-dimethyl-3H-1-benzofuran-7-yl) 2,3-dihydro-1,4-benzodioxine-6-sulfonate Openeye Name: (2,2-dimethyl-3H-benzofuran-7-yl) 2,3-dihydro-1,4-benzodioxine-6-sulfonate CAS Name: 2,3-dihydro-1,4-benzodioxin-6-sulfonic acid (2,2-dimethyl-3H-benzofuran-7-yl) ester IUPAC Name: (2,2-dimethyl-3H-1-benzofuran-7-yl) 2,3-dihydro-1,4-benzodioxine-6-sulfonate Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-sulfonic acid (2,2-dimethylcoumaran-7-yl) ester Formula: C18H18O6S MolecularWeight: 362.39692

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(O1)C(=CC=C2)OS(=O)(=O)C3=CC4=C(C=C3)OCCO4)C

Isomeric SMILES

CC1(CC2=C(O1)C(=CC=C2)OS(=O)(=O)C3=CC4=C(C=C3)OCCO4)C

InChI

InChI=1S/C18H18O6S/c1-18(2)11-12-4-3-5-15(17(12)23-18)24-25(19,20)13-6-7-14-16(10-13)22-9-8-21-14/h3-7,10H,8-9,11H2,1-2H3