3-azanyl-2,4-bis(chloranyl)-6-(2-ethyl-3-oxidanyl-6-oxidanylidene-xanthen-9-yl)benzoic acid

Systemtic Name: 3-azanyl-2,4-bis(chloranyl)-6-(2-ethyl-3-oxidanyl-6-oxidanylidene-xanthen-9-yl)benzoic acid Openeye Name: 3-amino-2,4-dichloro-6-(2-ethyl-3-hydroxy-6-oxo-xanthen-9-yl)benzoic acid CAS Name: 3-amino-2,4-dichloro-6-(2-ethyl-3-hydroxy-6-oxo-9-xanthenyl)benzoic acid IUPAC Name: 3-amino-2,4-dichloro-6-(2-ethyl-3-hydroxy-6-oxoxanthen-9-yl)benzoic acid Traditional Name: 3-amino-2,4-dichloro-6-(2-ethyl-3-hydroxy-6-keto-xanthen-9-yl)benzoic acid Formula: C22H15Cl2NO5 MolecularWeight: 444.2642

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=C3C=CC(=O)C=C3O2)C4=CC(=C(C(=C4C(=O)O)Cl)N)Cl)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=C3C=CC(=O)C=C3O2)C4=CC(=C(C(=C4C(=O)O)Cl)N)Cl)O

InChI

InChI=1S/C22H15Cl2NO5/c1-2-9-5-12-17(8-15(9)27)30-16-6-10(26)3-4-11(16)18(12)13-7-14(23)21(25)20(24)19(13)22(28)29/h3-8,27H,2,25H2,1H3,(H,28,29)