2-[3-(dioctylamino)-6-[methyl(octyl)azaniumylidene]xanthen-9-yl]benzoate

Systemtic Name: 2-[3-(dioctylamino)-6-[methyl(octyl)azaniumylidene]xanthen-9-yl]benzoate Openeye Name: 2-[3-(dioctylamino)-6-[methyl(octyl)iminio]xanthen-9-yl]benzoate CAS Name: 2-[3-(dioctylamino)-6-[methyl(octyl)iminio]-9-xanthenyl]benzoate IUPAC Name: 2-[3-(dioctylamino)-6-[methyl(octyl)azaniumylidene]xanthen-9-yl]benzoate Traditional Name: 2-[3-(dioctylamino)-6-[methyl(octyl)iminio]xanthen-9-yl]benzoate Formula: C45H64N2O3 MolecularWeight: 681.00126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C45H64N2O3/c1-5-8-11-14-17-22-31-46(4)36-27-29-40-42(34-36)50-43-35-37(28-30-41(43)44(40)38-25-20-21-26-39(38)45(48)49)47(32-23-18-15-12-9-6-2)33-24-19-16-13-10-7-3/h20-21,25-30,34-35H,5-19,22-24,31-33H2,1-4H3