4-[4,5-bis(chloranyl)-2-methyl-3-oxidanyl-6-oxidanylidene-xanthen-9-yl]butanoic acid

Systemtic Name: 4-[4,5-bis(chloranyl)-2-methyl-3-oxidanyl-6-oxidanylidene-xanthen-9-yl]butanoic acid Openeye Name: 4-(4,5-dichloro-3-hydroxy-2-methyl-6-oxo-xanthen-9-yl)butanoic acid CAS Name: 4-(4,5-dichloro-3-hydroxy-2-methyl-6-oxo-9-xanthenyl)butanoic acid IUPAC Name: 4-(4,5-dichloro-3-hydroxy-2-methyl-6-oxoxanthen-9-yl)butanoic acid Traditional Name: 4-(4,5-dichloro-3-hydroxy-6-keto-2-methyl-xanthen-9-yl)butyric acid Formula: C18H14Cl2O5 MolecularWeight: 381.20676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2C(=C1)C(=C3C=CC(=O)C(=C3O2)Cl)CCCC(=O)O)Cl)O

Isomeric SMILES

CC1=C(C(=C2C(=C1)C(=C3C=CC(=O)C(=C3O2)Cl)CCCC(=O)O)Cl)O

InChI

InChI=1S/C18H14Cl2O5/c1-8-7-11-9(3-2-4-13(22)23)10-5-6-12(21)14(19)17(10)25-18(11)15(20)16(8)24/h5-7,24H,2-4H2,1H3,(H,22,23)