[1,3-bis(chloranyl)-9-oxidanylidene-thioxanthen-4-yl] 3-ethylheptaneperoxoate

Systemtic Name: [1,3-bis(chloranyl)-9-oxidanylidene-thioxanthen-4-yl] 3-ethylheptaneperoxoate Openeye Name: (1,3-dichloro-9-oxo-thioxanthen-4-yl) 3-ethylheptaneperoxoate CAS Name: 3-ethylheptaneperoxoic acid (1,3-dichloro-9-oxo-4-thioxanthenyl) ester IUPAC Name: (1,3-dichloro-9-oxothioxanthen-4-yl) 3-ethylheptaneperoxoate Traditional Name: 3-ethylperoxyenanthic acid (1,3-dichloro-9-keto-thioxanthen-4-yl) ester Formula: C22H22Cl2O4S MolecularWeight: 453.37868

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CC(=O)OOC1=C(C=C(C2=C1SC3=CC=CC=C3C2=O)Cl)Cl

Isomeric SMILES

CCCCC(CC)CC(=O)OOC1=C(C=C(C2=C1SC3=CC=CC=C3C2=O)Cl)Cl

InChI

InChI=1S/C22H22Cl2O4S/c1-3-5-8-13(4-2)11-18(25)27-28-21-16(24)12-15(23)19-20(26)14-9-6-7-10-17(14)29-22(19)21/h6-7,9-10,12-13H,3-5,8,11H2,1-2H3