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

Systemtic Name: 1-(3,3-dimethyl-2H-1-benzofuran-5-yl)ethanesulfonic acid Openeye Name: 1-(3,3-dimethyl-2H-benzofuran-5-yl)ethanesulfonic acid CAS Name: 1-(3,3-dimethyl-2H-benzofuran-5-yl)ethanesulfonic acid IUPAC Name: 1-(3,3-dimethyl-2H-1-benzofuran-5-yl)ethanesulfonic acid Traditional Name: 1-(3,3-dimethylcoumaran-5-yl)ethanesulfonic acid Formula: C12H16O4S MolecularWeight: 256.31804

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCC2(C)C)S(=O)(=O)O

Isomeric SMILES

CC(C1=CC2=C(C=C1)OCC2(C)C)S(=O)(=O)O

InChI

InChI=1S/C12H16O4S/c1-8(17(13,14)15)9-4-5-11-10(6-9)12(2,3)7-16-11/h4-6,8H,7H2,1-3H3,(H,13,14,15)