tert-butyl 4-[4-(4-butan-2-ylphenyl)sulfonylphenyl]-4-(dioxidanyl)-2-ethanoyl-2-methyl-butanoate

Systemtic Name: tert-butyl 4-[4-(4-butan-2-ylphenyl)sulfonylphenyl]-4-(dioxidanyl)-2-ethanoyl-2-methyl-butanoate Openeye Name: tert-butyl 2-acetyl-4-hydroperoxy-2-methyl-4-[4-(4-sec-butylphenyl)sulfonylphenyl]butanoate CAS Name: 2-acetyl-4-[4-(4-butan-2-ylphenyl)sulfonylphenyl]-4-hydroperoxy-2-methylbutanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-acetyl-4-[4-(4-butan-2-ylphenyl)sulfonylphenyl]-4-hydroperoxy-2-methylbutanoate Traditional Name: 2-acetyl-4-hydroperoxy-2-methyl-4-[4-(4-sec-butylphenyl)sulfonylphenyl]butyric acid tert-butyl ester Formula: C27H36O7S MolecularWeight: 504.63554

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)C(CC(C)(C(=O)C)C(=O)OC(C)(C)C)OO

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)C(CC(C)(C(=O)C)C(=O)OC(C)(C)C)OO

InChI

InChI=1S/C27H36O7S/c1-8-18(2)20-9-13-22(14-10-20)35(31,32)23-15-11-21(12-16-23)24(34-30)17-27(7,19(3)28)25(29)33-26(4,5)6/h9-16,18,24,30H,8,17H2,1-7H3