(6-oxidanyl-2-oxidanylidene-chromen-4-yl) 4-methylbenzenesulfonate

Systemtic Name: (6-oxidanyl-2-oxidanylidene-chromen-4-yl) 4-methylbenzenesulfonate Openeye Name: (6-hydroxy-2-oxo-chromen-4-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (6-hydroxy-2-oxo-1-benzopyran-4-yl) ester IUPAC Name: (6-hydroxy-2-oxochromen-4-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (6-hydroxy-2-keto-chromen-4-yl) ester Formula: C16H12O6S MolecularWeight: 332.32788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=O)OC3=C2C=C(C=C3)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=O)OC3=C2C=C(C=C3)O

InChI

InChI=1S/C16H12O6S/c1-10-2-5-12(6-3-10)23(19,20)22-15-9-16(18)21-14-7-4-11(17)8-13(14)15/h2-9,17H,1H3