2-[2,7-bis(chloranyl)-3-oxidanyl-6-oxidanylidene-xanthen-9-yl]-6-(dimethylamino)benzoic acid

Systemtic Name: 2-[2,7-bis(chloranyl)-3-oxidanyl-6-oxidanylidene-xanthen-9-yl]-6-(dimethylamino)benzoic acid Openeye Name: 2-(2,7-dichloro-3-hydroxy-6-oxo-xanthen-9-yl)-6-(dimethylamino)benzoic acid CAS Name: 2-(2,7-dichloro-3-hydroxy-6-oxo-9-xanthenyl)-6-(dimethylamino)benzoic acid IUPAC Name: 2-(2,7-dichloro-3-hydroxy-6-oxoxanthen-9-yl)-6-(dimethylamino)benzoic acid Traditional Name: 2-(2,7-dichloro-3-hydroxy-6-keto-xanthen-9-yl)-6-(dimethylamino)benzoic acid Formula: C22H15Cl2NO5 MolecularWeight: 444.2642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=CC(=C1C(=O)O)C2=C3C=C(C(=O)C=C3OC4=CC(=C(C=C42)Cl)O)Cl

Isomeric SMILES

CN(C)C1=CC=CC(=C1C(=O)O)C2=C3C=C(C(=O)C=C3OC4=CC(=C(C=C42)Cl)O)Cl

InChI

InChI=1S/C22H15Cl2NO5/c1-25(2)15-5-3-4-10(21(15)22(28)29)20-11-6-13(23)16(26)8-18(11)30-19-9-17(27)14(24)7-12(19)20/h3-9,26H,1-2H3,(H,28,29)