(4-bromanyl-2-propanoyl-phenyl) 2-oxidanylidenechromene-6-sulfonate

Systemtic Name: (4-bromanyl-2-propanoyl-phenyl) 2-oxidanylidenechromene-6-sulfonate Openeye Name: (4-bromo-2-propanoyl-phenyl) 2-oxochromene-6-sulfonate CAS Name: 2-oxo-1-benzopyran-6-sulfonic acid [4-bromo-2-(1-oxopropyl)phenyl] ester IUPAC Name: (4-bromo-2-propanoylphenyl) 2-oxochromene-6-sulfonate Traditional Name: 2-ketochromene-6-sulfonic acid (4-bromo-2-propionyl-phenyl) ester Formula: C18H13BrO6S MolecularWeight: 437.26122

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(C=CC(=C1)Br)OS(=O)(=O)C2=CC3=C(C=C2)OC(=O)C=C3

Isomeric SMILES

CCC(=O)C1=C(C=CC(=C1)Br)OS(=O)(=O)C2=CC3=C(C=C2)OC(=O)C=C3

InChI

InChI=1S/C18H13BrO6S/c1-2-15(20)14-10-12(19)4-6-17(14)25-26(22,23)13-5-7-16-11(9-13)3-8-18(21)24-16/h3-10H,2H2,1H3