[9-(2-carboxyphenyl)-6-(ethylamino)xanthen-3-ylidene]-diethyl-azanium chloride

Systemtic Name: [9-(2-carboxyphenyl)-6-(ethylamino)xanthen-3-ylidene]-diethyl-azanium chloride Openeye Name: [9-(2-carboxyphenyl)-6-(ethylamino)xanthen-3-ylidene]-diethyl-ammonium chloride CAS Name: [9-(2-carboxyphenyl)-6-(ethylamino)-3-xanthenylidene]-diethylammonium chloride IUPAC Name: [9-(2-carboxyphenyl)-6-(ethylamino)xanthen-3-ylidene]-diethylazanium chloride Traditional Name: [9-(2-carboxyphenyl)-6-(ethylamino)xanthen-3-ylidene]-diethyl-ammonium chloride Formula: C26H27ClN2O3 MolecularWeight: 450.95718

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=CC=CC=C4C(=O)O.[Cl-]

Isomeric SMILES

CCNC1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=CC=CC=C4C(=O)O.[Cl-]

InChI

InChI=1S/C26H26N2O3.ClH/c1-4-27-17-11-13-21-23(15-17)31-24-16-18(28(5-2)6-3)12-14-22(24)25(21)19-9-7-8-10-20(19)26(29)30;/h7-16H,4-6H2,1-3H3,(H,29,30);1H