2-[10-(4-carboxyphenyl)-9-oxidanyl-5-oxidanylidene-benzo[a]xanthen-12-yl]-3,4,5,6-tetrakis(chloranyl)benzoic acid

Systemtic Name: 2-[10-(4-carboxyphenyl)-9-oxidanyl-5-oxidanylidene-benzo[a]xanthen-12-yl]-3,4,5,6-tetrakis(chloranyl)benzoic acid Openeye Name: 2-[10-(4-carboxyphenyl)-9-hydroxy-5-oxo-benzo[a]xanthen-12-yl]-3,4,5,6-tetrachloro-benzoic acid CAS Name: 2-[10-(4-carboxyphenyl)-9-hydroxy-5-oxo-12-benzo[a]xanthenyl]-3,4,5,6-tetrachlorobenzoic acid IUPAC Name: 2-[10-(4-carboxyphenyl)-9-hydroxy-5-oxobenzo[a]xanthen-12-yl]-3,4,5,6-tetrachlorobenzoic acid Traditional Name: 2-[10-(4-carboxyphenyl)-9-hydroxy-5-keto-benzo[a]xanthen-12-yl]-3,4,5,6-tetrachloro-benzoic acid Formula: C31H14Cl4O7 MolecularWeight: 640.25066

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C=C3C2=C(C4=CC(=C(C=C4O3)O)C5=CC=C(C=C5)C(=O)O)C6=C(C(=C(C(=C6Cl)Cl)Cl)Cl)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C=C3C2=C(C4=CC(=C(C=C4O3)O)C5=CC=C(C=C5)C(=O)O)C6=C(C(=C(C(=C6Cl)Cl)Cl)Cl)C(=O)O

InChI

InChI=1S/C31H14Cl4O7/c32-26-24(25(31(40)41)27(33)29(35)28(26)34)23-17-9-16(12-5-7-13(8-6-12)30(38)39)19(37)10-20(17)42-21-11-18(36)14-3-1-2-4-15(14)22(21)23/h1-11,37H,(H,38,39)(H,40,41)