2,4-bis[2-(2-oxidanylidene-2-pentoxy-ethyl)-2-(1-pentylperoxyethenyl)-1,3-dihydroperimidin-4-yl]cyclobutane-1,3-diolate

Systemtic Name: 2,4-bis[2-(2-oxidanylidene-2-pentoxy-ethyl)-2-(1-pentylperoxyethenyl)-1,3-dihydroperimidin-4-yl]cyclobutane-1,3-diolate Openeye Name: 2,4-bis[2-(2-oxo-2-pentoxy-ethyl)-2-(1-pentylperoxyvinyl)-1,3-dihydroperimidin-4-yl]cyclobutane-1,3-diolate CAS Name: 2,4-bis[2-(2-oxo-2-pentoxyethyl)-2-(1-pentyldioxyethenyl)-1,3-dihydroperimidin-4-yl]cyclobutane-1,3-diolate IUPAC Name: 2,4-bis[2-(2-oxo-2-pentoxyethyl)-2-(1-pentylperoxyethenyl)-1,3-dihydroperimidin-4-yl]cyclobutane-1,3-diolate Traditional Name: 2,4-bis[2-(2-amoxy-2-keto-ethyl)-2-(1-amylperoxyvinyl)-1,3-dihydroperimidin-4-yl]cyclobutane-1,3-diolate Formula: C54H70N4O10-2 MolecularWeight: 935.1544

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)CC1(NC2=CC=CC3=C2C(=C(C=C3)C4C(C(C4[O-])C5=C6C7=C(C=CC=C7NC(N6)(CC(=O)OCCCCC)C(=C)OOCCCCC)C=C5)[O-])N1)C(=C)OOCCCCC

Isomeric SMILES

CCCCCOC(=O)CC1(NC2=CC=CC3=C2C(=C(C=C3)C4C(C(C4[O-])C5=C6C7=C(C=CC=C7NC(N6)(CC(=O)OCCCCC)C(=C)OOCCCCC)C=C5)[O-])N1)C(=C)OOCCCCC

InChI

InChI=1S/C54H70N4O10/c1-7-11-15-29-63-43(59)33-53(35(5)67-65-31-17-13-9-3)55-41-23-19-21-37-25-27-39(49(57-53)45(37)41)47-51(61)48(52(47)62)40-28-26-38-22-20-24-42-46(38)50(40)58-54(56-42,34-44(60)64-30-16-12-8-2)36(6)68-66-32-18-14-10-4/h19-28,47-48,51-52,55-58H,5-18,29-34H2,1-4H3/q-2