(3,3-dimethyl-2H-1-benzofuran-5-yl) cyclohexanesulfonate

Systemtic Name: (3,3-dimethyl-2H-1-benzofuran-5-yl) cyclohexanesulfonate Openeye Name: (3,3-dimethyl-2H-benzofuran-5-yl) cyclohexanesulfonate CAS Name: cyclohexanesulfonic acid (3,3-dimethyl-2H-benzofuran-5-yl) ester IUPAC Name: (3,3-dimethyl-2H-1-benzofuran-5-yl) cyclohexanesulfonate Traditional Name: cyclohexanesulfonic acid (3,3-dimethylcoumaran-5-yl) ester Formula: C16H22O4S MolecularWeight: 310.40848

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC2=C1C=C(C=C2)OS(=O)(=O)C3CCCCC3)C

Isomeric SMILES

CC1(COC2=C1C=C(C=C2)OS(=O)(=O)C3CCCCC3)C

InChI

InChI=1S/C16H22O4S/c1-16(2)11-19-15-9-8-12(10-14(15)16)20-21(17,18)13-6-4-3-5-7-13/h8-10,13H,3-7,11H2,1-2H3