(4E)-2-(2-methyl-2-undecyl-1,3-dihydroperimidin-6-yl)-4-(2-methyl-2-undecyl-1H-perimidin-6-ylidene)-3-oxidanyl-cyclobut-2-en-1-one

Systemtic Name: (4E)-2-(2-methyl-2-undecyl-1,3-dihydroperimidin-6-yl)-4-(2-methyl-2-undecyl-1H-perimidin-6-ylidene)-3-oxidanyl-cyclobut-2-en-1-one Openeye Name: (4E)-3-hydroxy-2-(2-methyl-2-undecyl-1,3-dihydroperimidin-6-yl)-4-(2-methyl-2-undecyl-1H-perimidin-6-ylidene)cyclobut-2-en-1-one CAS Name: (4E)-3-hydroxy-2-(2-methyl-2-undecyl-1,3-dihydroperimidin-6-yl)-4-(2-methyl-2-undecyl-1H-perimidin-6-ylidene)-1-cyclobut-2-enone IUPAC Name: (4E)-3-hydroxy-2-(2-methyl-2-undecyl-1,3-dihydroperimidin-6-yl)-4-(2-methyl-2-undecyl-1H-perimidin-6-ylidene)cyclobut-2-en-1-one Traditional Name: (4E)-3-hydroxy-2-(2-methyl-2-undecyl-1,3-dihydroperimidin-6-yl)-4-(2-methyl-2-undecyl-1H-perimidin-6-ylidene)cyclobut-2-en-1-one Formula: C50H66N4O2 MolecularWeight: 755.08464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1(NC2=C3C(=C(C=C2)C4=C(C(=C5C=CC6=NC(NC7=CC=CC5=C67)(C)CCCCCCCCCCC)C4=O)O)C=CC=C3N1)C

Isomeric SMILES

CCCCCCCCCCCC1(NC2=C3C(=C(C=C2)C4=C(/C(=C\5/C=CC6=NC(NC7=CC=CC5=C67)(C)CCCCCCCCCCC)/C4=O)O)C=CC=C3N1)C

InChI

InChI=1S/C50H66N4O2/c1-5-7-9-11-13-15-17-19-21-33-49(3)51-39-27-23-25-35-37(29-31-41(53-49)43(35)39)45-47(55)46(48(45)56)38-30-32-42-44-36(38)26-24-28-40(44)52-50(4,54-42)34-22-20-18-16-14-12-10-8-6-2/h23-32,51-53,55H,5-22,33-34H2,1-4H3/b46-38+