(6-oxidanyl-2-oxidanylidene-chromen-7-yl) 4-methylbenzenesulfonate

Systemtic Name: (6-oxidanyl-2-oxidanylidene-chromen-7-yl) 4-methylbenzenesulfonate Openeye Name: (6-hydroxy-2-oxo-chromen-7-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (6-hydroxy-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (6-hydroxy-2-oxochromen-7-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (6-hydroxy-2-keto-chromen-7-yl) ester Formula: C16H12O6S MolecularWeight: 332.32788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C3C=CC(=O)OC3=C2)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C3C=CC(=O)OC3=C2)O

InChI

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