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

Systemtic Name: 2-[2-chloranyl-6-oxidanyl-3-oxidanylidene-5-[(quinolin-8-ylamino)methyl]xanthen-9-yl]benzoic acid Openeye Name: 2-[2-chloro-6-hydroxy-3-oxo-5-[(8-quinolylamino)methyl]xanthen-9-yl]benzoic acid CAS Name: 2-[2-chloro-6-hydroxy-3-oxo-5-[(8-quinolinylamino)methyl]-9-xanthenyl]benzoic acid IUPAC Name: 2-[2-chloro-6-hydroxy-3-oxo-5-[(quinolin-8-ylamino)methyl]xanthen-9-yl]benzoic acid Traditional Name: 2-[2-chloro-6-hydroxy-3-keto-5-[(8-quinolylamino)methyl]xanthen-9-yl]benzoic acid Formula: C30H19ClN2O5 MolecularWeight: 522.93526

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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=CC=C6)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=CC=C6)O)Cl)C(=O)O

InChI

InChI=1S/C30H19ClN2O5/c31-22-13-20-26(14-25(22)35)38-29-19(27(20)17-7-1-2-8-18(17)30(36)37)10-11-24(34)21(29)15-33-23-9-3-5-16-6-4-12-32-28(16)23/h1-14,33-34H,15H2,(H,36,37)