[9-(2-carboxyphenyl)-6-(diethylamino)-9,9a-dihydroxanthen-3-ylidene]-diethyl-azanium

Systemtic Name: [9-(2-carboxyphenyl)-6-(diethylamino)-9,9a-dihydroxanthen-3-ylidene]-diethyl-azanium Openeye Name: [9-(2-carboxyphenyl)-6-(diethylamino)-9,9a-dihydroxanthen-3-ylidene]-diethyl-ammonium CAS Name: [9-(2-carboxyphenyl)-6-(diethylamino)-9,9a-dihydroxanthen-3-ylidene]-diethylammonium IUPAC Name: [9-(2-carboxyphenyl)-6-(diethylamino)-9,9a-dihydroxanthen-3-ylidene]-diethylazanium Traditional Name: [9-(2-carboxyphenyl)-6-(diethylamino)-9,9a-dihydroxanthen-3-ylidene]-diethyl-ammonium Formula: C28H33N2O3+ MolecularWeight: 445.57322

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=CC=CC=C4C(=O)O

Isomeric SMILES

CCN(CC)C1=CC2=C(C=C1)C(C3C=CC(=[N+](CC)CC)C=C3O2)C4=CC=CC=C4C(=O)O

InChI

InChI=1S/C28H32N2O3/c1-5-29(6-2)19-13-15-23-25(17-19)33-26-18-20(30(7-3)8-4)14-16-24(26)27(23)21-11-9-10-12-22(21)28(31)32/h9-18,23,27H,5-8H2,1-4H3/p+1