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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC2=C1C=C(C=C2)CCS(=O)(=O)O)C

Isomeric SMILES

CC1(COC2=C1C=C(C=C2)CCS(=O)(=O)O)C

InChI

InChI=1S/C12H16O4S/c1-12(2)8-16-11-4-3-9(7-10(11)12)5-6-17(13,14)15/h3-4,7H,5-6,8H2,1-2H3,(H,13,14,15)