2,5-bis(chloranyl)-4-(2-chloranyl-3-oxidanyl-6-oxidanylidene-7-phenyl-xanthen-9-yl)benzene-1,3-dicarboxylic acid

Systemtic Name: 2,5-bis(chloranyl)-4-(2-chloranyl-3-oxidanyl-6-oxidanylidene-7-phenyl-xanthen-9-yl)benzene-1,3-dicarboxylic acid Openeye Name: 2,5-dichloro-4-(2-chloro-3-hydroxy-6-oxo-7-phenyl-xanthen-9-yl)benzene-1,3-dicarboxylic acid CAS Name: 2,5-dichloro-4-(2-chloro-3-hydroxy-6-oxo-7-phenyl-9-xanthenyl)benzene-1,3-dicarboxylic acid IUPAC Name: 2,5-dichloro-4-(2-chloro-3-hydroxy-6-oxo-7-phenylxanthen-9-yl)benzene-1,3-dicarboxylic acid Traditional Name: 2,5-dichloro-4-(2-chloro-3-hydroxy-6-keto-7-phenyl-xanthen-9-yl)isophthalic acid Formula: C27H13Cl3O7 MolecularWeight: 555.74692

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC3=C(C4=CC(=C(C=C4OC3=CC2=O)O)Cl)C5=C(C=C(C(=C5C(=O)O)Cl)C(=O)O)Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=CC3=C(C4=CC(=C(C=C4OC3=CC2=O)O)Cl)C5=C(C=C(C(=C5C(=O)O)Cl)C(=O)O)Cl

InChI

InChI=1S/C27H13Cl3O7/c28-16-7-14-21(10-19(16)32)37-20-9-18(31)12(11-4-2-1-3-5-11)6-13(20)22(14)23-17(29)8-15(26(33)34)25(30)24(23)27(35)36/h1-10,32H,(H,33,34)(H,35,36)