phenyl 2,2-dimethyl-3-[2-[2-oxidanylidene-6-(phenylcarbonyl)-1,3-benzothiazol-3-yl]ethoxy]pentaneperoxoate

Systemtic Name: phenyl 2,2-dimethyl-3-[2-[2-oxidanylidene-6-(phenylcarbonyl)-1,3-benzothiazol-3-yl]ethoxy]pentaneperoxoate Openeye Name: phenyl 3-[2-(6-benzoyl-2-oxo-1,3-benzothiazol-3-yl)ethoxy]-2,2-dimethyl-pentaneperoxoate CAS Name: 3-[2-(6-benzoyl-2-oxo-1,3-benzothiazol-3-yl)ethoxy]-2,2-dimethylpentaneperoxoic acid phenyl ester IUPAC Name: phenyl 3-[2-(6-benzoyl-2-oxo-1,3-benzothiazol-3-yl)ethoxy]-2,2-dimethylpentaneperoxoate Traditional Name: 3-[2-(6-benzoyl-2-keto-1,3-benzothiazol-3-yl)ethoxy]-2,2-dimethyl-peroxyvaleric acid phenyl ester Formula: C29H29NO6S MolecularWeight: 519.60866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H29NO6S/c1-4-25(29(2,3)27(32)36-35-22-13-9-6-10-14-22)34-18-17-30-23-16-15-21(19-24(23)37-28(30)33)26(31)20-11-7-5-8-12-20/h5-16,19,25H,4,17-18H2,1-3H3