2,5-bis(chloranyl)-3-(3-oxidanyl-6-oxidanylidene-2,7-dipyridin-3-yl-xanthen-9-yl)terephthalic acid

Systemtic Name: 2,5-bis(chloranyl)-3-(3-oxidanyl-6-oxidanylidene-2,7-dipyridin-3-yl-xanthen-9-yl)terephthalic acid Openeye Name: 2,5-dichloro-3-[3-hydroxy-6-oxo-2,7-bis(3-pyridyl)xanthen-9-yl]terephthalic acid CAS Name: 2,5-dichloro-3-[3-hydroxy-6-oxo-2,7-bis(3-pyridinyl)-9-xanthenyl]terephthalic acid IUPAC Name: 2,5-dichloro-3-(3-hydroxy-6-oxo-2,7-dipyridin-3-ylxanthen-9-yl)terephthalic acid Traditional Name: 2,5-dichloro-3-[3-hydroxy-6-keto-2,7-bis(3-pyridyl)xanthen-9-yl]terephthalic acid Formula: C31H16Cl2N2O7 MolecularWeight: 599.37394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C2=CC3=C(C4=CC(=C(C=C4OC3=CC2=O)O)C5=CN=CC=C5)C6=C(C(=CC(=C6C(=O)O)Cl)C(=O)O)Cl

Isomeric SMILES

C1=CC(=CN=C1)C2=CC3=C(C4=CC(=C(C=C4OC3=CC2=O)O)C5=CN=CC=C5)C6=C(C(=CC(=C6C(=O)O)Cl)C(=O)O)Cl

InChI

InChI=1S/C31H16Cl2N2O7/c32-21-9-20(30(38)39)29(33)28(27(21)31(40)41)26-18-7-16(14-3-1-5-34-12-14)22(36)10-24(18)42-25-11-23(37)17(8-19(25)26)15-4-2-6-35-13-15/h1-13,36H,(H,38,39)(H,40,41)