4-[4,5-bis(chloranyl)-2,7-dimethyl-3-oxidanyl-6-oxidanylidene-xanthen-9-yl]butanoic acid

Systemtic Name: 4-[4,5-bis(chloranyl)-2,7-dimethyl-3-oxidanyl-6-oxidanylidene-xanthen-9-yl]butanoic acid Openeye Name: 4-(4,5-dichloro-3-hydroxy-2,7-dimethyl-6-oxo-xanthen-9-yl)butanoic acid CAS Name: 4-(4,5-dichloro-3-hydroxy-2,7-dimethyl-6-oxo-9-xanthenyl)butanoic acid IUPAC Name: 4-(4,5-dichloro-3-hydroxy-2,7-dimethyl-6-oxoxanthen-9-yl)butanoic acid Traditional Name: 4-(4,5-dichloro-3-hydroxy-6-keto-2,7-dimethyl-xanthen-9-yl)butyric acid Formula: C19H16Cl2O5 MolecularWeight: 395.23334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C3=CC(=C(C(=C3OC2=C(C1=O)Cl)Cl)O)C)CCCC(=O)O

Isomeric SMILES

CC1=CC2=C(C3=CC(=C(C(=C3OC2=C(C1=O)Cl)Cl)O)C)CCCC(=O)O

InChI

InChI=1S/C19H16Cl2O5/c1-8-6-11-10(4-3-5-13(22)23)12-7-9(2)17(25)15(21)19(12)26-18(11)14(20)16(8)24/h6-7,24H,3-5H2,1-2H3,(H,22,23)