[8-(2-carboxyphenyl)-5-(diethylamino)xanthen-3-ylidene]-diethyl-azanium chloride

Systemtic Name: [8-(2-carboxyphenyl)-5-(diethylamino)xanthen-3-ylidene]-diethyl-azanium chloride Openeye Name: [8-(2-carboxyphenyl)-5-(diethylamino)xanthen-3-ylidene]-diethyl-ammonium chloride CAS Name: [8-(2-carboxyphenyl)-5-(diethylamino)-3-xanthenylidene]-diethylammonium chloride IUPAC Name: [8-(2-carboxyphenyl)-5-(diethylamino)xanthen-3-ylidene]-diethylazanium chloride Traditional Name: [8-(2-carboxyphenyl)-5-(diethylamino)xanthen-3-ylidene]-diethyl-ammonium chloride Formula: C28H31ClN2O3 MolecularWeight: 479.01034

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C2C(=C(C=C1)C3=CC=CC=C3C(=O)O)C=C4C=CC(=[N+](CC)CC)C=C4O2.[Cl-]

Isomeric SMILES

CCN(CC)C1=C2C(=C(C=C1)C3=CC=CC=C3C(=O)O)C=C4C=CC(=[N+](CC)CC)C=C4O2.[Cl-]

InChI

InChI=1S/C28H30N2O3.ClH/c1-5-29(6-2)20-14-13-19-17-24-22(21-11-9-10-12-23(21)28(31)32)15-16-25(30(7-3)8-4)27(24)33-26(19)18-20;/h9-18H,5-8H2,1-4H3;1H