2-[3-(dimethylamino)-6-dimethylazaniumylidene-xanthen-9-yl]-4-ethanoyl-benzoate

Systemtic Name: 2-[3-(dimethylamino)-6-dimethylazaniumylidene-xanthen-9-yl]-4-ethanoyl-benzoate Openeye Name: 4-acetyl-2-[3-(dimethylamino)-6-dimethyliminio-xanthen-9-yl]benzoate CAS Name: 4-acetyl-2-[3-(dimethylamino)-6-dimethyliminio-9-xanthenyl]benzoate IUPAC Name: 4-acetyl-2-[3-(dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]benzoate Traditional Name: 4-acetyl-2-[3-(dimethylamino)-6-dimethyliminio-xanthen-9-yl]benzoate Formula: C26H24N2O4 MolecularWeight: 428.47976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)C(=O)[O-])C2=C3C=CC(=[N+](C)C)C=C3OC4=C2C=CC(=C4)N(C)C

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)C(=O)[O-])C2=C3C=CC(=[N+](C)C)C=C3OC4=C2C=CC(=C4)N(C)C

InChI

InChI=1S/C26H24N2O4/c1-15(29)16-6-9-19(26(30)31)22(12-16)25-20-10-7-17(27(2)3)13-23(20)32-24-14-18(28(4)5)8-11-21(24)25/h6-14H,1-5H3