(1,3-dimethyl-9-oxidanylidene-thioxanthen-4-yl) 3-ethylheptaneperoxoate

Systemtic Name: (1,3-dimethyl-9-oxidanylidene-thioxanthen-4-yl) 3-ethylheptaneperoxoate Openeye Name: (1,3-dimethyl-9-oxo-thioxanthen-4-yl) 3-ethylheptaneperoxoate CAS Name: 3-ethylheptaneperoxoic acid (1,3-dimethyl-9-oxo-4-thioxanthenyl) ester IUPAC Name: (1,3-dimethyl-9-oxothioxanthen-4-yl) 3-ethylheptaneperoxoate Traditional Name: 3-ethylperoxyenanthic acid (9-keto-1,3-dimethyl-thioxanthen-4-yl) ester Formula: C24H28O4S MolecularWeight: 412.54172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28O4S/c1-5-7-10-17(6-2)14-20(25)27-28-23-16(4)13-15(3)21-22(26)18-11-8-9-12-19(18)29-24(21)23/h8-9,11-13,17H,5-7,10,14H2,1-4H3