2,5-bis(chloranyl)-3-(3-oxidanyl-6-oxidanylidene-2,7-diphenyl-4,5-dipyridin-3-yl-xanthen-9-yl)terephthalic acid

Systemtic Name: 2,5-bis(chloranyl)-3-(3-oxidanyl-6-oxidanylidene-2,7-diphenyl-4,5-dipyridin-3-yl-xanthen-9-yl)terephthalic acid Openeye Name: 2,5-dichloro-3-[3-hydroxy-6-oxo-2,7-diphenyl-4,5-bis(3-pyridyl)xanthen-9-yl]terephthalic acid CAS Name: 2,5-dichloro-3-[3-hydroxy-6-oxo-2,7-diphenyl-4,5-bis(3-pyridinyl)-9-xanthenyl]terephthalic acid IUPAC Name: 2,5-dichloro-3-(3-hydroxy-6-oxo-2,7-diphenyl-4,5-dipyridin-3-ylxanthen-9-yl)terephthalic acid Traditional Name: 2,5-dichloro-3-[3-hydroxy-6-keto-2,7-diphenyl-4,5-bis(3-pyridyl)xanthen-9-yl]terephthalic acid Formula: C43H24Cl2N2O7 MolecularWeight: 751.56586

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC3=C(C4=CC(=C(C(=C4OC3=C(C2=O)C5=CN=CC=C5)C6=CN=CC=C6)O)C7=CC=CC=C7)C8=C(C(=CC(=C8C(=O)O)Cl)C(=O)O)Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=CC3=C(C4=CC(=C(C(=C4OC3=C(C2=O)C5=CN=CC=C5)C6=CN=CC=C6)O)C7=CC=CC=C7)C8=C(C(=CC(=C8C(=O)O)Cl)C(=O)O)Cl

InChI

InChI=1S/C43H24Cl2N2O7/c44-31-19-30(42(50)51)37(45)36(35(31)43(52)53)34-28-17-26(22-9-3-1-4-10-22)38(48)32(24-13-7-15-46-20-24)40(28)54-41-29(34)18-27(23-11-5-2-6-12-23)39(49)33(41)25-14-8-16-47-21-25/h1-21,48H,(H,50,51)(H,52,53)