[8-[3,4-bis(azanyl)-2-carboxy-phenyl]-5-(diethylamino)xanthen-3-ylidene]-diethyl-azanium

Systemtic Name: [8-[3,4-bis(azanyl)-2-carboxy-phenyl]-5-(diethylamino)xanthen-3-ylidene]-diethyl-azanium Openeye Name: [8-(3,4-diamino-2-carboxy-phenyl)-5-(diethylamino)xanthen-3-ylidene]-diethyl-ammonium CAS Name: [8-(3,4-diamino-2-carboxyphenyl)-5-(diethylamino)-3-xanthenylidene]-diethylammonium IUPAC Name: [8-(3,4-diamino-2-carboxyphenyl)-5-(diethylamino)xanthen-3-ylidene]-diethylazanium Traditional Name: [8-(3,4-diamino-2-carboxy-phenyl)-5-(diethylamino)xanthen-3-ylidene]-diethyl-ammonium Formula: C28H33N4O3+ MolecularWeight: 473.58662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H32N4O3/c1-5-31(6-2)18-10-9-17-15-21-19(20-11-13-22(29)26(30)25(20)28(33)34)12-14-23(32(7-3)8-4)27(21)35-24(17)16-18/h9-16,29H,5-8,30H2,1-4H3,(H,33,34)/p+1