4-[4,5-bis(chloranyl)-1-methyl-6-oxidanyl-3-oxidanylidene-xanthen-9-yl]butanoic acid

Systemtic Name: 4-[4,5-bis(chloranyl)-1-methyl-6-oxidanyl-3-oxidanylidene-xanthen-9-yl]butanoic acid Openeye Name: 4-(4,5-dichloro-6-hydroxy-1-methyl-3-oxo-xanthen-9-yl)butanoic acid CAS Name: 4-(4,5-dichloro-6-hydroxy-1-methyl-3-oxo-9-xanthenyl)butanoic acid IUPAC Name: 4-(4,5-dichloro-6-hydroxy-1-methyl-3-oxoxanthen-9-yl)butanoic acid Traditional Name: 4-(4,5-dichloro-6-hydroxy-3-keto-1-methyl-xanthen-9-yl)butyric acid Formula: C18H14Cl2O5 MolecularWeight: 381.20676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C2C1=C(C3=C(O2)C(=C(C=C3)O)Cl)CCCC(=O)O)Cl

Isomeric SMILES

CC1=CC(=O)C(=C2C1=C(C3=C(O2)C(=C(C=C3)O)Cl)CCCC(=O)O)Cl

InChI

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