2,4-bis[2,2-bis(dodecanoyloxymethyl)-1,3-dihydroperimidin-4-yl]cyclobuta-1,3-diene-1,3-diolate

Systemtic Name: 2,4-bis[2,2-bis(dodecanoyloxymethyl)-1,3-dihydroperimidin-4-yl]cyclobuta-1,3-diene-1,3-diolate Openeye Name: 2,4-bis[2,2-bis(dodecanoyloxymethyl)-1,3-dihydroperimidin-4-yl]cyclobuta-1,3-diene-1,3-diolate CAS Name: 2,4-bis[2,2-bis(1-oxododecoxymethyl)-1,3-dihydroperimidin-4-yl]cyclobuta-1,3-diene-1,3-diolate IUPAC Name: 2,4-bis[2,2-bis(dodecanoyloxymethyl)-1,3-dihydroperimidin-4-yl]cyclobuta-1,3-diene-1,3-diolate Traditional Name: 2,4-bis[2,2-bis(lauroyloxymethyl)-1,3-dihydroperimidin-4-yl]cyclobuta-1,3-diene-1,3-diolate Formula: C78H114N4O10-2 MolecularWeight: 1267.76056

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)OCC1(NC2=CC=CC3=C2C(=C(C=C3)C4=C(C(=C4[O-])C5=C6C7=C(C=CC=C7NC(N6)(COC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCC)C=C5)[O-])N1)COC(=O)CCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCC(=O)OCC1(NC2=CC=CC3=C2C(=C(C=C3)C4=C(C(=C4[O-])C5=C6C7=C(C=CC=C7NC(N6)(COC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCC)C=C5)[O-])N1)COC(=O)CCCCCCCCCCC

InChI

InChI=1S/C78H116N4O10/c1-5-9-13-17-21-25-29-33-37-47-65(83)89-55-77(56-90-66(84)48-38-34-30-26-22-18-14-10-6-2)79-63-45-41-43-59-51-53-61(73(81-77)69(59)63)71-75(87)72(76(71)88)62-54-52-60-44-42-46-64-70(60)74(62)82-78(80-64,57-91-67(85)49-39-35-31-27-23-19-15-11-7-3)58-92-68(86)50-40-36-32-28-24-20-16-12-8-4/h41-46,51-54,79-82,87-88H,5-40,47-50,55-58H2,1-4H3/p-2