8-[[9-(2-carboxyphenyl)-7-chloranyl-3-oxidanyl-6-oxidanylidene-xanthen-4-yl]methylamino]quinoline-2-carboxylic acid

Systemtic Name: 8-[[9-(2-carboxyphenyl)-7-chloranyl-3-oxidanyl-6-oxidanylidene-xanthen-4-yl]methylamino]quinoline-2-carboxylic acid Openeye Name: 8-[[9-(2-carboxyphenyl)-7-chloro-3-hydroxy-6-oxo-xanthen-4-yl]methylamino]quinoline-2-carboxylic acid CAS Name: 8-[[9-(2-carboxyphenyl)-7-chloro-3-hydroxy-6-oxo-4-xanthenyl]methylamino]-2-quinolinecarboxylic acid IUPAC Name: 8-[[9-(2-carboxyphenyl)-7-chloro-3-hydroxy-6-oxoxanthen-4-yl]methylamino]quinoline-2-carboxylic acid Traditional Name: 8-[[9-(2-carboxyphenyl)-7-chloro-3-hydroxy-6-keto-xanthen-4-yl]methylamino]quinaldic acid Formula: C31H19ClN2O7 MolecularWeight: 566.94476

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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)C(=O)O)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)C(=O)O)O)Cl)C(=O)O

InChI

InChI=1S/C31H19ClN2O7/c32-21-12-19-26(13-25(21)36)41-29-18(27(19)16-5-1-2-6-17(16)30(37)38)9-11-24(35)20(29)14-33-22-7-3-4-15-8-10-23(31(39)40)34-28(15)22/h1-13,33,35H,14H2,(H,37,38)(H,39,40)