[6-(diethylamino)-9-(2-octadecoxycarbonylphenyl)xanthen-3-ylidene]-diethyl-azanium perchlorate

Systemtic Name: [6-(diethylamino)-9-(2-octadecoxycarbonylphenyl)xanthen-3-ylidene]-diethyl-azanium perchlorate Openeye Name: [6-(diethylamino)-9-(2-octadecoxycarbonylphenyl)xanthen-3-ylidene]-diethyl-ammonium perchlorate CAS Name: [6-(diethylamino)-9-[2-[octadecoxy(oxo)methyl]phenyl]-3-xanthenylidene]-diethylammonium perchlorate IUPAC Name: [6-(diethylamino)-9-(2-octadecoxycarbonylphenyl)xanthen-3-ylidene]-diethylazanium perchlorate Traditional Name: [6-(diethylamino)-9-(2-stearyloxycarbonylphenyl)xanthen-3-ylidene]-diethyl-ammonium perchlorate Formula: C46H67ClN2O7 MolecularWeight: 795.48638

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)C1=CC=CC=C1C2=C3C=CC(=[N+](CC)CC)C=C3OC4=C2C=CC(=C4)N(CC)CC.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)C1=CC=CC=C1C2=C3C=CC(=[N+](CC)CC)C=C3OC4=C2C=CC(=C4)N(CC)CC.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C46H67N2O3.ClHO4/c1-6-11-12-13-14-15-16-17-18-19-20-21-22-23-24-27-34-50-46(49)40-29-26-25-28-39(40)45-41-32-30-37(47(7-2)8-3)35-43(41)51-44-36-38(31-33-42(44)45)48(9-4)10-5;2-1(3,4)5/h25-26,28-33,35-36H,6-24,27,34H2,1-5H3;(H,2,3,4,5)/q+1;/p-1