[6-(didodecylamino)-9-phenyl-xanthen-3-ylidene]-didodecyl-azanium

Systemtic Name: [6-(didodecylamino)-9-phenyl-xanthen-3-ylidene]-didodecyl-azanium Openeye Name: [6-(didodecylamino)-9-phenyl-xanthen-3-ylidene]-didodecyl-ammonium CAS Name: [6-(didodecylamino)-9-phenyl-3-xanthenylidene]-didodecylammonium IUPAC Name: [6-(didodecylamino)-9-phenylxanthen-3-ylidene]-didodecylazanium Traditional Name: [6-(dilaurylamino)-9-phenyl-xanthen-3-ylidene]-dilauryl-ammonium Formula: C67H111N2O+ MolecularWeight: 960.61104

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN(CCCCCCCCCCCC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CCCCCCCCCCCC)CCCCCCCCCCCC)C=C3O2)C4=CC=CC=C4

Isomeric SMILES

CCCCCCCCCCCCN(CCCCCCCCCCCC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CCCCCCCCCCCC)CCCCCCCCCCCC)C=C3O2)C4=CC=CC=C4

InChI

InChI=1S/C67H111N2O/c1-5-9-13-17-21-25-29-33-37-44-54-68(55-45-38-34-30-26-22-18-14-10-6-2)61-50-52-63-65(58-61)70-66-59-62(51-53-64(66)67(63)60-48-42-41-43-49-60)69(56-46-39-35-31-27-23-19-15-11-7-3)57-47-40-36-32-28-24-20-16-12-8-4/h41-43,48-53,58-59H,5-40,44-47,54-57H2,1-4H3/q+1