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

Systemtic Name: (3,3-dimethyl-2H-1-benzofuran-5-yl) 2-methylcyclohexa-2,4-diene-1-sulfonate Openeye Name: (3,3-dimethyl-2H-benzofuran-5-yl) 2-methylcyclohexa-2,4-diene-1-sulfonate CAS Name: 2-methyl-1-cyclohexa-2,4-dienesulfonic acid (3,3-dimethyl-2H-benzofuran-5-yl) ester IUPAC Name: (3,3-dimethyl-2H-1-benzofuran-5-yl) 2-methylcyclohexa-2,4-diene-1-sulfonate Traditional Name: 2-methylcyclohexa-2,4-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=CCC1S(=O)(=O)OC2=CC3=C(C=C2)OCC3(C)C

Isomeric SMILES

CC1=CC=CCC1S(=O)(=O)OC2=CC3=C(C=C2)OCC3(C)C

InChI

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