(4-methylphenyl) 2-oxidanylidenechromene-6-sulfonate

Systemtic Name: (4-methylphenyl) 2-oxidanylidenechromene-6-sulfonate Openeye Name: p-tolyl 2-oxochromene-6-sulfonate CAS Name: 2-oxo-1-benzopyran-6-sulfonic acid (4-methylphenyl) ester IUPAC Name: (4-methylphenyl) 2-oxochromene-6-sulfonate Traditional Name: 2-ketochromene-6-sulfonic acid p-tolyl ester Formula: C16H12O5S MolecularWeight: 316.32848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OS(=O)(=O)C2=CC3=C(C=C2)OC(=O)C=C3

Isomeric SMILES

CC1=CC=C(C=C1)OS(=O)(=O)C2=CC3=C(C=C2)OC(=O)C=C3

InChI

InChI=1S/C16H12O5S/c1-11-2-5-13(6-3-11)21-22(18,19)14-7-8-15-12(10-14)4-9-16(17)20-15/h2-10H,1H3