phenyl 2-[2-[6-(3-chlorophenyl)carbonyl-2-oxidanylidene-1,3-benzothiazol-3-yl]ethoxy]-2-methyl-propaneperoxoate

Systemtic Name: phenyl 2-[2-[6-(3-chlorophenyl)carbonyl-2-oxidanylidene-1,3-benzothiazol-3-yl]ethoxy]-2-methyl-propaneperoxoate Openeye Name: phenyl 2-[2-[6-(3-chlorobenzoyl)-2-oxo-1,3-benzothiazol-3-yl]ethoxy]-2-methyl-propaneperoxoate CAS Name: 2-[2-[6-[(3-chlorophenyl)-oxomethyl]-2-oxo-1,3-benzothiazol-3-yl]ethoxy]-2-methylpropaneperoxoic acid phenyl ester IUPAC Name: phenyl 2-[2-[6-(3-chlorobenzoyl)-2-oxo-1,3-benzothiazol-3-yl]ethoxy]-2-methylpropaneperoxoate Traditional Name: 2-[2-[6-(3-chlorobenzoyl)-2-keto-1,3-benzothiazol-3-yl]ethoxy]-2-methyl-peroxypropionic acid phenyl ester Formula: C26H22ClNO6S MolecularWeight: 511.97398

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)OOC1=CC=CC=C1)OCCN2C3=C(C=C(C=C3)C(=O)C4=CC(=CC=C4)Cl)SC2=O

Isomeric SMILES

CC(C)(C(=O)OOC1=CC=CC=C1)OCCN2C3=C(C=C(C=C3)C(=O)C4=CC(=CC=C4)Cl)SC2=O

InChI

InChI=1S/C26H22ClNO6S/c1-26(2,24(30)34-33-20-9-4-3-5-10-20)32-14-13-28-21-12-11-18(16-22(21)35-25(28)31)23(29)17-7-6-8-19(27)15-17/h3-12,15-16H,13-14H2,1-2H3