2-[3-(dioctylamino)-6-dioctylazaniumylidene-xanthen-9-yl]benzoate

Systemtic Name: 2-[3-(dioctylamino)-6-dioctylazaniumylidene-xanthen-9-yl]benzoate Openeye Name: 2-[3-(dioctylamino)-6-dioctyliminio-xanthen-9-yl]benzoate CAS Name: 2-[3-(dioctylamino)-6-dioctyliminio-9-xanthenyl]benzoate IUPAC Name: 2-[3-(dioctylamino)-6-dioctylazaniumylidenexanthen-9-yl]benzoate Traditional Name: 2-[3-(dioctylamino)-6-dioctyliminio-xanthen-9-yl]benzoate Formula: C52H78N2O3 MolecularWeight: 779.18732

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN(CCCCCCCC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CCCCCCCC)CCCCCCCC)C=C3O2)C4=CC=CC=C4C(=O)[O-]

Isomeric SMILES

CCCCCCCCN(CCCCCCCC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CCCCCCCC)CCCCCCCC)C=C3O2)C4=CC=CC=C4C(=O)[O-]

InChI

InChI=1S/C52H78N2O3/c1-5-9-13-17-21-27-37-53(38-28-22-18-14-10-6-2)43-33-35-47-49(41-43)57-50-42-44(34-36-48(50)51(47)45-31-25-26-32-46(45)52(55)56)54(39-29-23-19-15-11-7-3)40-30-24-20-16-12-8-4/h25-26,31-36,41-42H,5-24,27-30,37-40H2,1-4H3