(3-oxidanyl-1-oxidanylidene-3,4-dihydro-2H-thiochromen-2-yl) 4-methylbenzenesulfonate

Systemtic Name: (3-oxidanyl-1-oxidanylidene-3,4-dihydro-2H-thiochromen-2-yl) 4-methylbenzenesulfonate Openeye Name: (3-hydroxy-1-oxo-3,4-dihydro-2H-thiochromen-2-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (3-hydroxy-1-oxo-3,4-dihydro-2H-1-benzothiopyran-2-yl) ester IUPAC Name: (3-hydroxy-1-oxo-3,4-dihydro-2H-thiochromen-2-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (3-hydroxy-1-keto-3,4-dihydro-2H-thiochromen-2-yl) ester Formula: C16H16O5S2 MolecularWeight: 352.42524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2C(CC3=CC=CC=C3S2=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2C(CC3=CC=CC=C3S2=O)O

InChI

InChI=1S/C16H16O5S2/c1-11-6-8-13(9-7-11)23(19,20)21-16-14(17)10-12-4-2-3-5-15(12)22(16)18/h2-9,14,16-17H,10H2,1H3