[(E)-6-(hydroxymethyl)-6-methyl-7-oxidanyl-hept-2-enoyl] benzenecarboperoxoate

Systemtic Name: [(E)-6-(hydroxymethyl)-6-methyl-7-oxidanyl-hept-2-enoyl] benzenecarboperoxoate Openeye Name: [(E)-7-hydroxy-6-(hydroxymethyl)-6-methyl-hept-2-enoyl] benzenecarboperoxoate CAS Name: benzenecarboperoxoic acid [(E)-7-hydroxy-6-(hydroxymethyl)-6-methyl-1-oxohept-2-enyl] ester IUPAC Name: [(E)-7-hydroxy-6-(hydroxymethyl)-6-methylhept-2-enoyl] benzenecarboperoxoate Traditional Name: benzenecarboperoxoic acid [(E)-7-hydroxy-6-methyl-6-methylol-hept-2-enoyl] ester Formula: C16H20O6 MolecularWeight: 308.3264

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC=CC(=O)OOC(=O)C1=CC=CC=C1)(CO)CO

Isomeric SMILES

CC(CC/C=C/C(=O)OOC(=O)C1=CC=CC=C1)(CO)CO

InChI

InChI=1S/C16H20O6/c1-16(11-17,12-18)10-6-5-9-14(19)21-22-15(20)13-7-3-2-4-8-13/h2-5,7-9,17-18H,6,10-12H2,1H3/b9-5+