2-acetyloxy-3-[2-acetyloxy-3-(2-acetyloxy-3-carboxy-phenyl)carbonyl-5-chloranyl-phenyl]carbonyl-benzoic acid

Systemtic Name: 2-acetyloxy-3-[2-acetyloxy-3-(2-acetyloxy-3-carboxy-phenyl)carbonyl-5-chloranyl-phenyl]carbonyl-benzoic acid Openeye Name: 2-acetoxy-3-[2-acetoxy-3-(2-acetoxy-3-carboxy-benzoyl)-5-chloro-benzoyl]benzoic acid CAS Name: 2-acetyloxy-3-[[2-acetyloxy-3-[(2-acetyloxy-3-carboxyphenyl)-oxomethyl]-5-chlorophenyl]-oxomethyl]benzoic acid IUPAC Name: 2-acetyloxy-3-[2-acetyloxy-3-(2-acetyloxy-3-carboxybenzoyl)-5-chlorobenzoyl]benzoic acid Traditional Name: 2-acetoxy-3-[2-acetoxy-3-(2-acetoxy-3-carboxy-benzoyl)-5-chloro-benzoyl]benzoic acid Formula: C28H19ClO12 MolecularWeight: 582.89626

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=CC=C1C(=O)O)C(=O)C2=CC(=CC(=C2OC(=O)C)C(=O)C3=C(C(=CC=C3)C(=O)O)OC(=O)C)Cl

Isomeric SMILES

CC(=O)OC1=C(C=CC=C1C(=O)O)C(=O)C2=CC(=CC(=C2OC(=O)C)C(=O)C3=C(C(=CC=C3)C(=O)O)OC(=O)C)Cl

InChI

InChI=1S/C28H19ClO12/c1-12(30)39-24-16(6-4-8-18(24)27(35)36)22(33)20-10-15(29)11-21(26(20)41-14(3)32)23(34)17-7-5-9-19(28(37)38)25(17)40-13(2)31/h4-11H,1-3H3,(H,35,36)(H,37,38)