2,4,6-tris[[(3,4-didodecoxyphenyl)amino]methylidene]cyclohexane-1,3,5-trione

Systemtic Name: 2,4,6-tris[[(3,4-didodecoxyphenyl)amino]methylidene]cyclohexane-1,3,5-trione Openeye Name: 2,4,6-tris[(3,4-didodecoxyanilino)methylene]cyclohexane-1,3,5-trione CAS Name: 2,4,6-tris[(3,4-didodecoxyanilino)methylidene]cyclohexane-1,3,5-trione IUPAC Name: 2,4,6-tris[(3,4-didodecoxyanilino)methylidene]cyclohexane-1,3,5-trione Traditional Name: 2,4,6-tris[(3,4-dilauryloxyanilino)methylene]cyclohexane-1,3,5-trione Formula: C99H165N3O9 MolecularWeight: 1541.3841

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C=C(C=C1)NC=C2C(=O)C(=CNC3=CC(=C(C=C3)OCCCCCCCCCCCC)OCCCCCCCCCCCC)C(=O)C(=CNC4=CC(=C(C=C4)OCCCCCCCCCCCC)OCCCCCCCCCCCC)C2=O)OCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C=C(C=C1)NC=C2C(=O)C(=CNC3=CC(=C(C=C3)OCCCCCCCCCCCC)OCCCCCCCCCCCC)C(=O)C(=CNC4=CC(=C(C=C4)OCCCCCCCCCCCC)OCCCCCCCCCCCC)C2=O)OCCCCCCCCCCCC

InChI

InChI=1S/C99H165N3O9/c1-7-13-19-25-31-37-43-49-55-61-73-106-91-70-67-85(79-94(91)109-76-64-58-52-46-40-34-28-22-16-10-4)100-82-88-97(103)89(83-101-86-68-71-92(107-74-62-56-50-44-38-32-26-20-14-8-2)95(80-86)110-77-65-59-53-47-41-35-29-23-17-11-5)99(105)90(98(88)104)84-102-87-69-72-93(108-75-63-57-51-45-39-33-27-21-15-9-3)96(81-87)111-78-66-60-54-48-42-36-30-24-18-12-6/h67-72,79-84,100-102H,7-66,73-78H2,1-6H3