6-[12-[2-carboxy-3,4,5,6-tetrakis(chloranyl)phenyl]-9-oxidanyl-5-oxidanylidene-benzo[a]xanthen-10-yl]naphthalene-2-carboxylic acid

Systemtic Name: 6-[12-[2-carboxy-3,4,5,6-tetrakis(chloranyl)phenyl]-9-oxidanyl-5-oxidanylidene-benzo[a]xanthen-10-yl]naphthalene-2-carboxylic acid Openeye Name: 6-[12-(2-carboxy-3,4,5,6-tetrachloro-phenyl)-9-hydroxy-5-oxo-benzo[a]xanthen-10-yl]naphthalene-2-carboxylic acid CAS Name: 6-[12-(2-carboxy-3,4,5,6-tetrachlorophenyl)-9-hydroxy-5-oxo-10-benzo[a]xanthenyl]-2-naphthalenecarboxylic acid IUPAC Name: 6-[12-(2-carboxy-3,4,5,6-tetrachlorophenyl)-9-hydroxy-5-oxobenzo[a]xanthen-10-yl]naphthalene-2-carboxylic acid Traditional Name: 6-[12-(2-carboxy-3,4,5,6-tetrachloro-phenyl)-9-hydroxy-5-keto-benzo[a]xanthen-10-yl]-2-naphthoic acid Formula: C35H16Cl4O7 MolecularWeight: 690.30934

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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=CC6=C(C=C5)C=C(C=C6)C(=O)O)C7=C(C(=C(C(=C7Cl)Cl)Cl)Cl)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C=C3C2=C(C4=CC(=C(C=C4O3)O)C5=CC6=C(C=C5)C=C(C=C6)C(=O)O)C7=C(C(=C(C(=C7Cl)Cl)Cl)Cl)C(=O)O

InChI

InChI=1S/C35H16Cl4O7/c36-30-28(29(35(44)45)31(37)33(39)32(30)38)27-21-11-20(16-7-5-15-10-17(34(42)43)8-6-14(15)9-16)23(41)12-24(21)46-25-13-22(40)18-3-1-2-4-19(18)26(25)27/h1-13,41H,(H,42,43)(H,44,45)