[6-(diethylamino)-9-(2-hexoxycarbonylphenyl)xanthen-3-ylidene]-diethyl-azanium ethanoate

Systemtic Name: [6-(diethylamino)-9-(2-hexoxycarbonylphenyl)xanthen-3-ylidene]-diethyl-azanium ethanoate Openeye Name: [6-(diethylamino)-9-(2-hexoxycarbonylphenyl)xanthen-3-ylidene]-diethyl-ammonium acetate CAS Name: [6-(diethylamino)-9-[2-[hexoxy(oxo)methyl]phenyl]-3-xanthenylidene]-diethylammonium acetate IUPAC Name: [6-(diethylamino)-9-(2-hexoxycarbonylphenyl)xanthen-3-ylidene]-diethylazanium acetate Traditional Name: [6-(diethylamino)-9-(2-hexoxycarbonylphenyl)xanthen-3-ylidene]-diethyl-ammonium acetate Formula: C36H46N2O5 MolecularWeight: 586.76084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H43N2O3.C2H4O2/c1-6-11-12-15-22-38-34(37)28-17-14-13-16-27(28)33-29-20-18-25(35(7-2)8-3)23-31(29)39-32-24-26(19-21-30(32)33)36(9-4)10-5;1-2(3)4/h13-14,16-21,23-24H,6-12,15,22H2,1-5H3;1H3,(H,3,4)/q+1;/p-1