2,4-bis(2-methyl-2-undecyl-1,3-dihydroperimidin-4-yl)cyclobutane-1,3-diolate

Systemtic Name: 2,4-bis(2-methyl-2-undecyl-1,3-dihydroperimidin-4-yl)cyclobutane-1,3-diolate Openeye Name: 2,4-bis(2-methyl-2-undecyl-1,3-dihydroperimidin-4-yl)cyclobutane-1,3-diolate CAS Name: 2,4-bis(2-methyl-2-undecyl-1,3-dihydroperimidin-4-yl)cyclobutane-1,3-diolate IUPAC Name: 2,4-bis(2-methyl-2-undecyl-1,3-dihydroperimidin-4-yl)cyclobutane-1,3-diolate Traditional Name: 2,4-bis(2-methyl-2-undecyl-1,3-dihydroperimidin-4-yl)cyclobutane-1,3-diolate Formula: C50H70N4O2-2 MolecularWeight: 759.1164

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1(NC2=CC=CC3=C2C(=C(C=C3)C4C(C(C4[O-])C5=C6C7=C(C=CC=C7NC(N6)(C)CCCCCCCCCCC)C=C5)[O-])N1)C

Isomeric SMILES

CCCCCCCCCCCC1(NC2=CC=CC3=C2C(=C(C=C3)C4C(C(C4[O-])C5=C6C7=C(C=CC=C7NC(N6)(C)CCCCCCCCCCC)C=C5)[O-])N1)C

InChI

InChI=1S/C50H70N4O2/c1-5-7-9-11-13-15-17-19-21-33-49(3)51-39-27-23-25-35-29-31-37(45(53-49)41(35)39)43-47(55)44(48(43)56)38-32-30-36-26-24-28-40-42(36)46(38)54-50(4,52-40)34-22-20-18-16-14-12-10-8-6-2/h23-32,43-44,47-48,51-54H,5-22,33-34H2,1-4H3/q-2