2-[3-(dimethylamino)-6-dimethylazaniumylidene-xanthen-9-yl]terephthalate

Systemtic Name: 2-[3-(dimethylamino)-6-dimethylazaniumylidene-xanthen-9-yl]terephthalate Openeye Name: 2-[3-(dimethylamino)-6-dimethyliminio-xanthen-9-yl]terephthalate CAS Name: 2-[3-(dimethylamino)-6-dimethyliminio-9-xanthenyl]terephthalate IUPAC Name: 2-[3-(dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]terephthalate Traditional Name: 2-[3-(dimethylamino)-6-dimethyliminio-xanthen-9-yl]terephthalate Formula: C25H21N2O5- MolecularWeight: 429.44464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H22N2O5/c1-26(2)15-6-9-18-21(12-15)32-22-13-16(27(3)4)7-10-19(22)23(18)20-11-14(24(28)29)5-8-17(20)25(30)31/h5-13H,1-4H3,(H-,28,29,30,31)/p-1