2-[2,7-bis(chloranyl)-3-oxidanyl-6-oxidanylidene-8aH-xanthen-10-ium-9-yl]benzoic acid

Systemtic Name: 2-[2,7-bis(chloranyl)-3-oxidanyl-6-oxidanylidene-8aH-xanthen-10-ium-9-yl]benzoic acid Openeye Name: 2-(2,7-dichloro-3-hydroxy-6-oxo-8aH-xanthen-10-ium-9-yl)benzoic acid CAS Name: 2-(2,7-dichloro-3-hydroxy-6-oxo-8aH-xanthen-10-ium-9-yl)benzoic acid IUPAC Name: 2-(2,7-dichloro-3-hydroxy-6-oxo-8aH-xanthen-10-ium-9-yl)benzoic acid Traditional Name: 2-(2,7-dichloro-3-hydroxy-6-keto-8aH-xanthen-10-ium-9-yl)benzoic acid Formula: C20H11Cl2O5+ MolecularWeight: 402.20434

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=C3C=C(C(=CC3=[O+]C4=CC(=O)C(=CC42)Cl)O)Cl)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C2=C3C=C(C(=CC3=[O+]C4=CC(=O)C(=CC42)Cl)O)Cl)C(=O)O

InChI

InChI=1S/C20H10Cl2O5/c21-13-5-11-17(7-15(13)23)27-18-8-16(24)14(22)6-12(18)19(11)9-3-1-2-4-10(9)20(25)26/h1-8,11H,(H-,23,24,25,26)/p+1