[4-[3-(4-acetyloxyphenyl)-3-(dioxidanyl)-2-oxidanyl-butan-2-yl]phenyl] ethanoate

Systemtic Name: [4-[3-(4-acetyloxyphenyl)-3-(dioxidanyl)-2-oxidanyl-butan-2-yl]phenyl] ethanoate Openeye Name: [4-[2-(4-acetoxyphenyl)-2-hydroperoxy-1-hydroxy-1-methyl-propyl]phenyl] acetate CAS Name: acetic acid [4-[3-(4-acetyloxyphenyl)-3-hydroperoxy-2-hydroxybutan-2-yl]phenyl] ester IUPAC Name: [4-[3-(4-acetyloxyphenyl)-3-hydroperoxy-2-hydroxybutan-2-yl]phenyl] acetate Traditional Name: acetic acid [4-[2-(4-acetoxyphenyl)-2-hydroperoxy-1-hydroxy-1-methyl-propyl]phenyl] ester Formula: C20H22O7 MolecularWeight: 374.38448

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=C(C=C1)C(C)(C(C)(C2=CC=C(C=C2)OC(=O)C)OO)O

Isomeric SMILES

CC(=O)OC1=CC=C(C=C1)C(C)(C(C)(C2=CC=C(C=C2)OC(=O)C)OO)O

InChI

InChI=1S/C20H22O7/c1-13(21)25-17-9-5-15(6-10-17)19(3,23)20(4,27-24)16-7-11-18(12-8-16)26-14(2)22/h5-12,23-24H,1-4H3