(4-oxidanylidene-3,9-dihydrothioxanthen-9-yl) 4-methylbenzenesulfonate

Systemtic Name: (4-oxidanylidene-3,9-dihydrothioxanthen-9-yl) 4-methylbenzenesulfonate Openeye Name: (4-oxo-3,9-dihydrothioxanthen-9-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (4-oxo-3,9-dihydrothioxanthen-9-yl) ester IUPAC Name: (4-oxo-3,9-dihydrothioxanthen-9-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (4-keto-3,9-dihydrothioxanthen-9-yl) ester Formula: C20H16O4S2 MolecularWeight: 384.46864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2C3=C(C(=O)CC=C3)SC4=CC=CC=C24

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2C3=C(C(=O)CC=C3)SC4=CC=CC=C24

InChI

InChI=1S/C20H16O4S2/c1-13-9-11-14(12-10-13)26(22,23)24-19-15-5-2-3-8-18(15)25-20-16(19)6-4-7-17(20)21/h2-6,8-12,19H,7H2,1H3