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

Systemtic Name: (4-oxidanylidene-2,3-dihydrochromen-2-yl)methyl 4-methylbenzenesulfonate Openeye Name: (4-oxochroman-2-yl)methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)methyl ester IUPAC Name: (4-oxo-2,3-dihydrochromen-2-yl)methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (4-ketochroman-2-yl)methyl ester Formula: C17H16O5S MolecularWeight: 332.37094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2CC(=O)C3=CC=CC=C3O2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2CC(=O)C3=CC=CC=C3O2

InChI

InChI=1S/C17H16O5S/c1-12-6-8-14(9-7-12)23(19,20)21-11-13-10-16(18)15-4-2-3-5-17(15)22-13/h2-9,13H,10-11H2,1H3