(1-chloranyl-3-methyl-9-oxidanylidene-thioxanthen-4-yl) 3-ethylheptaneperoxoate

Systemtic Name: (1-chloranyl-3-methyl-9-oxidanylidene-thioxanthen-4-yl) 3-ethylheptaneperoxoate Openeye Name: (1-chloro-3-methyl-9-oxo-thioxanthen-4-yl) 3-ethylheptaneperoxoate CAS Name: 3-ethylheptaneperoxoic acid (1-chloro-3-methyl-9-oxo-4-thioxanthenyl) ester IUPAC Name: (1-chloro-3-methyl-9-oxothioxanthen-4-yl) 3-ethylheptaneperoxoate Traditional Name: 3-ethylperoxyenanthic acid (1-chloro-9-keto-3-methyl-thioxanthen-4-yl) ester Formula: C23H25ClO4S MolecularWeight: 432.9602

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CC(=O)OOC1=C2C(=C(C=C1C)Cl)C(=O)C3=CC=CC=C3S2

Isomeric SMILES

CCCCC(CC)CC(=O)OOC1=C2C(=C(C=C1C)Cl)C(=O)C3=CC=CC=C3S2

InChI

InChI=1S/C23H25ClO4S/c1-4-6-9-15(5-2)13-19(25)27-28-22-14(3)12-17(24)20-21(26)16-10-7-8-11-18(16)29-23(20)22/h7-8,10-12,15H,4-6,9,13H2,1-3H3