[2-[3,4-diethanoyl-2,5-bis(oxidanylidene)hexan-3-yl]phenyl]sulfonyl nonaneperoxoate

Systemtic Name: [2-[3,4-diethanoyl-2,5-bis(oxidanylidene)hexan-3-yl]phenyl]sulfonyl nonaneperoxoate Openeye Name: [2-(1,1,2-triacetyl-3-oxo-butyl)phenyl]sulfonyl nonaneperoxoate CAS Name: nonaneperoxoic acid [2-(3,4-diacetyl-2,5-dioxohexan-3-yl)phenyl]sulfonyl ester IUPAC Name: [2-(3,4-diacetyl-2,5-dioxohexan-3-yl)phenyl]sulfonyl nonaneperoxoate Traditional Name: peroxypelargonic acid [2-(1,1,2-triacetyl-3-keto-butyl)phenyl]sulfonyl ester Formula: C25H34O9S MolecularWeight: 510.59706

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)OOS(=O)(=O)C1=CC=CC=C1C(C(C(=O)C)C(=O)C)(C(=O)C)C(=O)C

Isomeric SMILES

CCCCCCCCC(=O)OOS(=O)(=O)C1=CC=CC=C1C(C(C(=O)C)C(=O)C)(C(=O)C)C(=O)C

InChI

InChI=1S/C25H34O9S/c1-6-7-8-9-10-11-16-23(30)33-34-35(31,32)22-15-13-12-14-21(22)25(19(4)28,20(5)29)24(17(2)26)18(3)27/h12-15,24H,6-11,16H2,1-5H3