phenyl 2-methyl-2-[3-[2-oxidanylidene-6-(phenylcarbonyl)-1,3-benzothiazol-3-yl]propoxy]propaneperoxoate

Systemtic Name: phenyl 2-methyl-2-[3-[2-oxidanylidene-6-(phenylcarbonyl)-1,3-benzothiazol-3-yl]propoxy]propaneperoxoate Openeye Name: phenyl 2-[3-(6-benzoyl-2-oxo-1,3-benzothiazol-3-yl)propoxy]-2-methyl-propaneperoxoate CAS Name: 2-[3-(6-benzoyl-2-oxo-1,3-benzothiazol-3-yl)propoxy]-2-methylpropaneperoxoic acid phenyl ester IUPAC Name: phenyl 2-[3-(6-benzoyl-2-oxo-1,3-benzothiazol-3-yl)propoxy]-2-methylpropaneperoxoate Traditional Name: 2-[3-(6-benzoyl-2-keto-1,3-benzothiazol-3-yl)propoxy]-2-methyl-peroxypropionic acid phenyl ester Formula: C27H25NO6S MolecularWeight: 491.5555

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)OOC1=CC=CC=C1)OCCCN2C3=C(C=C(C=C3)C(=O)C4=CC=CC=C4)SC2=O

Isomeric SMILES

CC(C)(C(=O)OOC1=CC=CC=C1)OCCCN2C3=C(C=C(C=C3)C(=O)C4=CC=CC=C4)SC2=O

InChI

InChI=1S/C27H25NO6S/c1-27(2,25(30)34-33-21-12-7-4-8-13-21)32-17-9-16-28-22-15-14-20(18-23(22)35-26(28)31)24(29)19-10-5-3-6-11-19/h3-8,10-15,18H,9,16-17H2,1-2H3