(3,3-dimethyl-2H-1-benzofuran-5-yl) cyclohexa-1,3-dien-1-ylmethanesulfonate

Systemtic Name: (3,3-dimethyl-2H-1-benzofuran-5-yl) cyclohexa-1,3-dien-1-ylmethanesulfonate Openeye Name: (3,3-dimethyl-2H-benzofuran-5-yl) cyclohexa-1,3-dien-1-ylmethanesulfonate CAS Name: 1-cyclohexa-1,3-dienylmethanesulfonic acid (3,3-dimethyl-2H-benzofuran-5-yl) ester IUPAC Name: (3,3-dimethyl-2H-1-benzofuran-5-yl) cyclohexa-1,3-dien-1-ylmethanesulfonate Traditional Name: cyclohexa-1,3-dien-1-ylmethanesulfonic acid (3,3-dimethylcoumaran-5-yl) ester Formula: C17H20O4S MolecularWeight: 320.4033

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC2=C1C=C(C=C2)OS(=O)(=O)CC3=CC=CCC3)C

Isomeric SMILES

CC1(COC2=C1C=C(C=C2)OS(=O)(=O)CC3=CC=CCC3)C

InChI

InChI=1S/C17H20O4S/c1-17(2)12-20-16-9-8-14(10-15(16)17)21-22(18,19)11-13-6-4-3-5-7-13/h3-4,6,8-10H,5,7,11-12H2,1-2H3