4,5-bis(oxidanyl)-2,3,6-tris[(phenylmethyl)peroxy]hexanoic acid

Systemtic Name: 4,5-bis(oxidanyl)-2,3,6-tris[(phenylmethyl)peroxy]hexanoic acid Openeye Name: 2,3,6-tris(benzylperoxy)-4,5-dihydroxy-hexanoic acid CAS Name: 4,5-dihydroxy-2,3,6-tris[(phenylmethyl)dioxy]hexanoic acid IUPAC Name: 2,3,6-tris(benzylperoxy)-4,5-dihydroxyhexanoic acid Traditional Name: 2,3,6-tris(benzylperoxy)-4,5-dihydroxy-hexanoic acid Formula: C27H30O10 MolecularWeight: 514.5211

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COOCC(C(C(C(C(=O)O)OOCC2=CC=CC=C2)OOCC3=CC=CC=C3)O)O

Isomeric SMILES

C1=CC=C(C=C1)COOCC(C(C(C(C(=O)O)OOCC2=CC=CC=C2)OOCC3=CC=CC=C3)O)O

InChI

InChI=1S/C27H30O10/c28-23(19-33-32-16-20-10-4-1-5-11-20)24(29)25(36-34-17-21-12-6-2-7-13-21)26(27(30)31)37-35-18-22-14-8-3-9-15-22/h1-15,23-26,28-29H,16-19H2,(H,30,31)