2,5-bis(chloranyl)-3-(3-oxidanyl-6-oxidanylidene-xanthen-9-yl)terephthalic acid

Systemtic Name: 2,5-bis(chloranyl)-3-(3-oxidanyl-6-oxidanylidene-xanthen-9-yl)terephthalic acid Openeye Name: 2,5-dichloro-3-(3-hydroxy-6-oxo-xanthen-9-yl)terephthalic acid CAS Name: 2,5-dichloro-3-(3-hydroxy-6-oxo-9-xanthenyl)terephthalic acid IUPAC Name: 2,5-dichloro-3-(3-hydroxy-6-oxoxanthen-9-yl)terephthalic acid Traditional Name: 2,5-dichloro-3-(3-hydroxy-6-keto-xanthen-9-yl)terephthalic acid Formula: C21H10Cl2O7 MolecularWeight: 445.2059

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1O)OC3=CC(=O)C=CC3=C2C4=C(C(=CC(=C4C(=O)O)Cl)C(=O)O)Cl

Isomeric SMILES

C1=CC2=C(C=C1O)OC3=CC(=O)C=CC3=C2C4=C(C(=CC(=C4C(=O)O)Cl)C(=O)O)Cl

InChI

InChI=1S/C21H10Cl2O7/c22-13-7-12(20(26)27)19(23)18(17(13)21(28)29)16-10-3-1-8(24)5-14(10)30-15-6-9(25)2-4-11(15)16/h1-7,24H,(H,26,27)(H,28,29)