7-bromanyl-3,3-dimethyl-2H-1-benzofuran-5-sulfonic acid

Systemtic Name: 7-bromanyl-3,3-dimethyl-2H-1-benzofuran-5-sulfonic acid Openeye Name: 7-bromo-3,3-dimethyl-2H-benzofuran-5-sulfonic acid CAS Name: 7-bromo-3,3-dimethyl-2H-benzofuran-5-sulfonic acid IUPAC Name: 7-bromo-3,3-dimethyl-2H-1-benzofuran-5-sulfonic acid Traditional Name: 7-bromo-3,3-dimethyl-coumaran-5-sulfonic acid Formula: C10H11BrO4S MolecularWeight: 307.16094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(COC2=C(C=C(C=C21)S(=O)(=O)O)Br)C

Isomeric SMILES

CC1(COC2=C(C=C(C=C21)S(=O)(=O)O)Br)C

InChI

InChI=1S/C10H11BrO4S/c1-10(2)5-15-9-7(10)3-6(4-8(9)11)16(12,13)14/h3-4H,5H2,1-2H3,(H,12,13,14)