phenyl-[2,3,4,5-tetrakis[di(nonyl)amino]phenyl]methanone

Systemtic Name: phenyl-[2,3,4,5-tetrakis[di(nonyl)amino]phenyl]methanone Openeye Name: phenyl-[2,3,4,5-tetrakis[di(nonyl)amino]phenyl]methanone CAS Name: phenyl-[2,3,4,5-tetrakis[di(nonyl)amino]phenyl]methanone IUPAC Name: phenyl-[2,3,4,5-tetrakis[di(nonyl)amino]phenyl]methanone Traditional Name: phenyl-[2,3,4,5-tetrakis[di(nonyl)amino]phenyl]methanone Formula: C85H158N4O MolecularWeight: 1252.19022

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCN(CCCCCCCCC)C1=C(C(=C(C(=C1)C(=O)C2=CC=CC=C2)N(CCCCCCCCC)CCCCCCCCC)N(CCCCCCCCC)CCCCCCCCC)N(CCCCCCCCC)CCCCCCCCC

Isomeric SMILES

CCCCCCCCCN(CCCCCCCCC)C1=C(C(=C(C(=C1)C(=O)C2=CC=CC=C2)N(CCCCCCCCC)CCCCCCCCC)N(CCCCCCCCC)CCCCCCCCC)N(CCCCCCCCC)CCCCCCCCC

InChI

InChI=1S/C85H158N4O/c1-9-17-25-33-41-49-60-70-86(71-61-50-42-34-26-18-10-2)81-78-80(85(90)79-68-58-57-59-69-79)82(87(72-62-51-43-35-27-19-11-3)73-63-52-44-36-28-20-12-4)84(89(76-66-55-47-39-31-23-15-7)77-67-56-48-40-32-24-16-8)83(81)88(74-64-53-45-37-29-21-13-5)75-65-54-46-38-30-22-14-6/h57-59,68-69,78H,9-56,60-67,70-77H2,1-8H3