(3,3-dimethyl-2H-1-benzofuran-5-yl) 4-methylcyclohexa-1,3-diene-1-sulfonate

Systemtic Name: (3,3-dimethyl-2H-1-benzofuran-5-yl) 4-methylcyclohexa-1,3-diene-1-sulfonate Openeye Name: (3,3-dimethyl-2H-benzofuran-5-yl) 4-methylcyclohexa-1,3-diene-1-sulfonate CAS Name: 4-methyl-1-cyclohexa-1,3-dienesulfonic acid (3,3-dimethyl-2H-benzofuran-5-yl) ester IUPAC Name: (3,3-dimethyl-2H-1-benzofuran-5-yl) 4-methylcyclohexa-1,3-diene-1-sulfonate Traditional Name: 4-methylcyclohexa-1,3-diene-1-sulfonic acid (3,3-dimethylcoumaran-5-yl) ester Formula: C17H20O4S MolecularWeight: 320.4033

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(CC1)S(=O)(=O)OC2=CC3=C(C=C2)OCC3(C)C

Isomeric SMILES

CC1=CC=C(CC1)S(=O)(=O)OC2=CC3=C(C=C2)OCC3(C)C

InChI

InChI=1S/C17H20O4S/c1-12-4-7-14(8-5-12)22(18,19)21-13-6-9-16-15(10-13)17(2,3)11-20-16/h4,6-7,9-10H,5,8,11H2,1-3H3