phenyl 2-methyl-2-[4-[2-oxidanylidene-6-(phenylcarbonyl)-1,3-benzothiazol-3-yl]butoxy]propaneperoxoate

Systemtic Name: phenyl 2-methyl-2-[4-[2-oxidanylidene-6-(phenylcarbonyl)-1,3-benzothiazol-3-yl]butoxy]propaneperoxoate Openeye Name: phenyl 2-[4-(6-benzoyl-2-oxo-1,3-benzothiazol-3-yl)butoxy]-2-methyl-propaneperoxoate CAS Name: 2-[4-(6-benzoyl-2-oxo-1,3-benzothiazol-3-yl)butoxy]-2-methylpropaneperoxoic acid phenyl ester IUPAC Name: phenyl 2-[4-(6-benzoyl-2-oxo-1,3-benzothiazol-3-yl)butoxy]-2-methylpropaneperoxoate Traditional Name: 2-[4-(6-benzoyl-2-keto-1,3-benzothiazol-3-yl)butoxy]-2-methyl-peroxypropionic acid phenyl ester Formula: C28H27NO6S MolecularWeight: 505.58208

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)OOC1=CC=CC=C1)OCCCCN2C3=C(C=C(C=C3)C(=O)C4=CC=CC=C4)SC2=O

Isomeric SMILES

CC(C)(C(=O)OOC1=CC=CC=C1)OCCCCN2C3=C(C=C(C=C3)C(=O)C4=CC=CC=C4)SC2=O

InChI

InChI=1S/C28H27NO6S/c1-28(2,26(31)35-34-22-13-7-4-8-14-22)33-18-10-9-17-29-23-16-15-21(19-24(23)36-27(29)32)25(30)20-11-5-3-6-12-20/h3-8,11-16,19H,9-10,17-18H2,1-2H3