(3-oxidanyl-4-oxidanylidene-2H-chromen-3-yl)methyl 4-methylbenzenesulfonate

Systemtic Name: (3-oxidanyl-4-oxidanylidene-2H-chromen-3-yl)methyl 4-methylbenzenesulfonate Openeye Name: (3-hydroxy-4-oxo-chroman-3-yl)methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (3-hydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl)methyl ester IUPAC Name: (3-hydroxy-4-oxo-2H-chromen-3-yl)methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (3-hydroxy-4-keto-chroman-3-yl)methyl ester Formula: C17H16O6S MolecularWeight: 348.37034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2(COC3=CC=CC=C3C2=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2(COC3=CC=CC=C3C2=O)O

InChI

InChI=1S/C17H16O6S/c1-12-6-8-13(9-7-12)24(20,21)23-11-17(19)10-22-15-5-3-2-4-14(15)16(17)18/h2-9,19H,10-11H2,1H3