[4-(4-octoxycarbonylphenyl)phenyl] 3-azanylperoxy-4-octoxy-benzoate

Systemtic Name: [4-(4-octoxycarbonylphenyl)phenyl] 3-azanylperoxy-4-octoxy-benzoate Openeye Name: [4-(4-octoxycarbonylphenyl)phenyl] 3-aminoperoxy-4-octoxy-benzoate CAS Name: 3-aminodioxy-4-octoxybenzoic acid [4-[4-[octoxy(oxo)methyl]phenyl]phenyl] ester IUPAC Name: [4-(4-octoxycarbonylphenyl)phenyl] 3-aminoperoxy-4-octoxybenzoate Traditional Name: 3-aminoperoxy-4-octoxy-benzoic acid [4-(4-octoxycarbonylphenyl)phenyl] ester Formula: C36H47NO7 MolecularWeight: 605.76088

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)OCCCCCCCC)OON

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)OCCCCCCCC)OON

InChI

InChI=1S/C36H47NO7/c1-3-5-7-9-11-13-25-40-33-24-21-31(27-34(33)43-44-37)36(39)42-32-22-19-29(20-23-32)28-15-17-30(18-16-28)35(38)41-26-14-12-10-8-6-4-2/h15-24,27H,3-14,25-26,37H2,1-2H3