(1-bromanyl-9-oxidanylidene-thioxanthen-4-yl) 3-ethylheptaneperoxoate

Systemtic Name: (1-bromanyl-9-oxidanylidene-thioxanthen-4-yl) 3-ethylheptaneperoxoate Openeye Name: (1-bromo-9-oxo-thioxanthen-4-yl) 3-ethylheptaneperoxoate CAS Name: 3-ethylheptaneperoxoic acid (1-bromo-9-oxo-4-thioxanthenyl) ester IUPAC Name: (1-bromo-9-oxothioxanthen-4-yl) 3-ethylheptaneperoxoate Traditional Name: 3-ethylperoxyenanthic acid (1-bromo-9-keto-thioxanthen-4-yl) ester Formula: C22H23BrO4S MolecularWeight: 463.38462

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CC(=O)OOC1=C2C(=C(C=C1)Br)C(=O)C3=CC=CC=C3S2

Isomeric SMILES

CCCCC(CC)CC(=O)OOC1=C2C(=C(C=C1)Br)C(=O)C3=CC=CC=C3S2

InChI

InChI=1S/C22H23BrO4S/c1-3-5-8-14(4-2)13-19(24)27-26-17-12-11-16(23)20-21(25)15-9-6-7-10-18(15)28-22(17)20/h6-7,9-12,14H,3-5,8,13H2,1-2H3