3-carboxy-4-[3-(diethylamino)-6-diethylazaniumylidene-xanthen-9-yl]benzoate

Systemtic Name: 3-carboxy-4-[3-(diethylamino)-6-diethylazaniumylidene-xanthen-9-yl]benzoate Openeye Name: 3-carboxy-4-[3-(diethylamino)-6-diethyliminio-xanthen-9-yl]benzoate CAS Name: 3-carboxy-4-[3-(diethylamino)-6-diethyliminio-9-xanthenyl]benzoate IUPAC Name: 3-carboxy-4-[3-(diethylamino)-6-diethylazaniumylidenexanthen-9-yl]benzoate Traditional Name: 3-carboxy-4-[3-(diethylamino)-6-diethyliminio-xanthen-9-yl]benzoate Formula: C29H30N2O5 MolecularWeight: 486.5589

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=C(C=C4)C(=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=C(C=C4)C(=O)[O-])C(=O)O

InChI

InChI=1S/C29H30N2O5/c1-5-30(6-2)19-10-13-22-25(16-19)36-26-17-20(31(7-3)8-4)11-14-23(26)27(22)21-12-9-18(28(32)33)15-24(21)29(34)35/h9-17H,5-8H2,1-4H3,(H-,32,33,34,35)