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

Systemtic Name: [9-(2-carboxy-5-nitro-phenyl)-6-(diethylamino)xanthen-3-ylidene]-diethyl-azanium Openeye Name: [9-(2-carboxy-5-nitro-phenyl)-6-(diethylamino)xanthen-3-ylidene]-diethyl-ammonium CAS Name: [9-(2-carboxy-5-nitrophenyl)-6-(diethylamino)-3-xanthenylidene]-diethylammonium IUPAC Name: [9-(2-carboxy-5-nitrophenyl)-6-(diethylamino)xanthen-3-ylidene]-diethylazanium Traditional Name: [9-(2-carboxy-5-nitro-phenyl)-6-(diethylamino)xanthen-3-ylidene]-diethyl-ammonium Formula: C28H30N3O5+ MolecularWeight: 488.5549

Click to see the large picture

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+](=O)[O-])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+](=O)[O-])C(=O)O

InChI

InChI=1S/C28H29N3O5/c1-5-29(6-2)18-9-13-22-25(16-18)36-26-17-19(30(7-3)8-4)10-14-23(26)27(22)24-15-20(31(34)35)11-12-21(24)28(32)33/h9-17H,5-8H2,1-4H3/p+1