2-heptoxy-5,6-bis(heptylperoxy)-3-pentyl-benzoate

Systemtic Name: 2-heptoxy-5,6-bis(heptylperoxy)-3-pentyl-benzoate Openeye Name: 2-heptoxy-5,6-bis(heptylperoxy)-3-pentyl-benzoate CAS Name: 2-heptoxy-5,6-bis(heptyldioxy)-3-pentylbenzoate IUPAC Name: 2-heptoxy-5,6-bis(heptylperoxy)-3-pentylbenzoate Traditional Name: 3-amyl-2-heptoxy-5,6-bis(heptylperoxy)benzoate Formula: C33H57O7- MolecularWeight: 565.80148

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=C(C(=C(C=C1CCCCC)OOCCCCCCC)OOCCCCCCC)C(=O)[O-]

Isomeric SMILES

CCCCCCCOC1=C(C(=C(C=C1CCCCC)OOCCCCCCC)OOCCCCCCC)C(=O)[O-]

InChI

InChI=1S/C33H58O7/c1-5-9-13-16-20-24-36-31-28(23-19-12-8-4)27-29(39-37-25-21-17-14-10-6-2)32(30(31)33(34)35)40-38-26-22-18-15-11-7-3/h27H,5-26H2,1-4H3,(H,34,35)/p-1