2-[2-chloranyl-5-[[[2-(hydroxymethyl)quinolin-8-yl]amino]methyl]-6-oxidanyl-3-oxidanylidene-xanthen-9-yl]benzoic acid

Systemtic Name: 2-[2-chloranyl-5-[[[2-(hydroxymethyl)quinolin-8-yl]amino]methyl]-6-oxidanyl-3-oxidanylidene-xanthen-9-yl]benzoic acid Openeye Name: 2-[2-chloro-6-hydroxy-5-[[[2-(hydroxymethyl)-8-quinolyl]amino]methyl]-3-oxo-xanthen-9-yl]benzoic acid CAS Name: 2-[2-chloro-6-hydroxy-5-[[[2-(hydroxymethyl)-8-quinolinyl]amino]methyl]-3-oxo-9-xanthenyl]benzoic acid IUPAC Name: 2-[2-chloro-6-hydroxy-5-[[[2-(hydroxymethyl)quinolin-8-yl]amino]methyl]-3-oxoxanthen-9-yl]benzoic acid Traditional Name: 2-[2-chloro-6-hydroxy-3-keto-5-[[(2-methylol-8-quinolyl)amino]methyl]xanthen-9-yl]benzoic acid Formula: C31H21ClN2O6 MolecularWeight: 552.96124

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=C3C=C(C(=O)C=C3OC4=C2C=CC(=C4CNC5=CC=CC6=C5N=C(C=C6)CO)O)Cl)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C2=C3C=C(C(=O)C=C3OC4=C2C=CC(=C4CNC5=CC=CC6=C5N=C(C=C6)CO)O)Cl)C(=O)O

InChI

InChI=1S/C31H21ClN2O6/c32-23-12-21-27(13-26(23)37)40-30-20(28(21)18-5-1-2-6-19(18)31(38)39)10-11-25(36)22(30)14-33-24-7-3-4-16-8-9-17(15-35)34-29(16)24/h1-13,33,35-36H,14-15H2,(H,38,39)