2,4-bis(2-ethyl-2-tridecyl-1,3-dihydroperimidin-4-yl)cyclobutane-1,3-diolate

Systemtic Name: 2,4-bis(2-ethyl-2-tridecyl-1,3-dihydroperimidin-4-yl)cyclobutane-1,3-diolate Openeye Name: 2,4-bis(2-ethyl-2-tridecyl-1,3-dihydroperimidin-4-yl)cyclobutane-1,3-diolate CAS Name: 2,4-bis(2-ethyl-2-tridecyl-1,3-dihydroperimidin-4-yl)cyclobutane-1,3-diolate IUPAC Name: 2,4-bis(2-ethyl-2-tridecyl-1,3-dihydroperimidin-4-yl)cyclobutane-1,3-diolate Traditional Name: 2,4-bis(2-ethyl-2-tridecyl-1,3-dihydroperimidin-4-yl)cyclobutane-1,3-diolate Formula: C56H82N4O2-2 MolecularWeight: 843.27588

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC1(NC2=CC=CC3=C2C(=C(C=C3)C4C(C(C4[O-])C5=C6C7=C(C=CC=C7NC(N6)(CC)CCCCCCCCCCCCC)C=C5)[O-])N1)CC

Isomeric SMILES

CCCCCCCCCCCCCC1(NC2=CC=CC3=C2C(=C(C=C3)C4C(C(C4[O-])C5=C6C7=C(C=CC=C7NC(N6)(CC)CCCCCCCCCCCCC)C=C5)[O-])N1)CC

InChI

InChI=1S/C56H82N4O2/c1-5-9-11-13-15-17-19-21-23-25-27-39-55(7-3)57-45-33-29-31-41-35-37-43(51(59-55)47(41)45)49-53(61)50(54(49)62)44-38-36-42-32-30-34-46-48(42)52(44)60-56(8-4,58-46)40-28-26-24-22-20-18-16-14-12-10-6-2/h29-38,49-50,53-54,57-60H,5-28,39-40H2,1-4H3/q-2