[9-(5-azanyl-2-carboxy-phenyl)-6-(diethylamino)xanthen-3-ylidene]-diethyl-azanium

Systemtic Name: [9-(5-azanyl-2-carboxy-phenyl)-6-(diethylamino)xanthen-3-ylidene]-diethyl-azanium Openeye Name: [9-(5-amino-2-carboxy-phenyl)-6-(diethylamino)xanthen-3-ylidene]-diethyl-ammonium CAS Name: [9-(5-amino-2-carboxyphenyl)-6-(diethylamino)-3-xanthenylidene]-diethylammonium IUPAC Name: [9-(5-amino-2-carboxyphenyl)-6-(diethylamino)xanthen-3-ylidene]-diethylazanium Traditional Name: [9-(5-amino-2-carboxy-phenyl)-6-(diethylamino)xanthen-3-ylidene]-diethyl-ammonium Formula: C28H32N3O3+ MolecularWeight: 458.57198

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=C(C=CC(=C4)N)C(=O)O

Isomeric SMILES

CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=C(C=CC(=C4)N)C(=O)O

InChI

InChI=1S/C28H31N3O3/c1-5-30(6-2)19-10-13-22-25(16-19)34-26-17-20(31(7-3)8-4)11-14-23(26)27(22)24-15-18(29)9-12-21(24)28(32)33/h9-17H,5-8,29H2,1-4H3/p+1