(1,3-dimethyl-9-oxidanylidene-thioxanthen-2-yl) 2-ethyl-3-methyl-hexaneperoxoate

Systemtic Name: (1,3-dimethyl-9-oxidanylidene-thioxanthen-2-yl) 2-ethyl-3-methyl-hexaneperoxoate Openeye Name: (1,3-dimethyl-9-oxo-thioxanthen-2-yl) 2-ethyl-3-methyl-hexaneperoxoate CAS Name: 2-ethyl-3-methylhexaneperoxoic acid (1,3-dimethyl-9-oxo-2-thioxanthenyl) ester IUPAC Name: (1,3-dimethyl-9-oxothioxanthen-2-yl) 2-ethyl-3-methylhexaneperoxoate Traditional Name: 2-ethyl-3-methyl-hexaneperoxoic acid (9-keto-1,3-dimethyl-thioxanthen-2-yl) ester Formula: C24H28O4S MolecularWeight: 412.54172

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C(CC)C(=O)OOC1=C(C2=C(C=C1C)SC3=CC=CC=C3C2=O)C

Isomeric SMILES

CCCC(C)C(CC)C(=O)OOC1=C(C2=C(C=C1C)SC3=CC=CC=C3C2=O)C

InChI

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