(4-oxidanylidene-2,3-dihydrochromen-3-yl) 4-methylbenzenesulfonate

Systemtic Name: (4-oxidanylidene-2,3-dihydrochromen-3-yl) 4-methylbenzenesulfonate Openeye Name: (4-oxochroman-3-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl) ester IUPAC Name: (4-oxo-2,3-dihydrochromen-3-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (4-ketochroman-3-yl) ester Formula: C16H14O5S MolecularWeight: 318.34436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2COC3=CC=CC=C3C2=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2COC3=CC=CC=C3C2=O

InChI

InChI=1S/C16H14O5S/c1-11-6-8-12(9-7-11)22(18,19)21-15-10-20-14-5-3-2-4-13(14)16(15)17/h2-9,15H,10H2,1H3