6-oxidanylhexyl 3-oxidanyl-2-phenethyl-4-phenyl-benzenecarboperoxoate

Systemtic Name: 6-oxidanylhexyl 3-oxidanyl-2-phenethyl-4-phenyl-benzenecarboperoxoate Openeye Name: 6-hydroxyhexyl 3-hydroxy-2-phenethyl-4-phenyl-benzenecarboperoxoate CAS Name: 3-hydroxy-2-phenethyl-4-phenylbenzenecarboperoxoic acid 6-hydroxyhexyl ester IUPAC Name: 6-hydroxyhexyl 3-hydroxy-2-phenethyl-4-phenylbenzenecarboperoxoate Traditional Name: 3-hydroxy-2-phenethyl-4-phenyl-benzenecarboperoxoic acid 6-hydroxyhexyl ester Formula: C27H30O5 MolecularWeight: 434.5241

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=C(C=CC(=C2O)C3=CC=CC=C3)C(=O)OOCCCCCCO

Isomeric SMILES

C1=CC=C(C=C1)CCC2=C(C=CC(=C2O)C3=CC=CC=C3)C(=O)OOCCCCCCO

InChI

InChI=1S/C27H30O5/c28-19-9-1-2-10-20-31-32-27(30)25-18-17-23(22-13-7-4-8-14-22)26(29)24(25)16-15-21-11-5-3-6-12-21/h3-8,11-14,17-18,28-29H,1-2,9-10,15-16,19-20H2