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

Systemtic Name: (1-oxidanylidene-3,4-dihydro-2H-thiochromen-3-yl) 4-methylbenzenesulfonate Openeye Name: (1-oxo-3,4-dihydro-2H-thiochromen-3-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (1-oxo-3,4-dihydro-2H-1-benzothiopyran-3-yl) ester IUPAC Name: (1-oxo-3,4-dihydro-2H-thiochromen-3-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (1-keto-3,4-dihydro-2H-thiochromen-3-yl) ester Formula: C16H16O4S2 MolecularWeight: 336.42584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2CC3=CC=CC=C3S(=O)C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2CC3=CC=CC=C3S(=O)C2

InChI

InChI=1S/C16H16O4S2/c1-12-6-8-15(9-7-12)22(18,19)20-14-10-13-4-2-3-5-16(13)21(17)11-14/h2-9,14H,10-11H2,1H3