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

Systemtic Name: 2-acetyloxy-3-[[2-acetyloxy-3-[(2-acetyloxy-3-carboxy-phenyl)methyl]-5-chloranyl-phenyl]methyl]benzoic acid Openeye Name: 2-acetoxy-3-[[2-acetoxy-3-[(2-acetoxy-3-carboxy-phenyl)methyl]-5-chloro-phenyl]methyl]benzoic acid CAS Name: 2-acetyloxy-3-[[2-acetyloxy-3-[(2-acetyloxy-3-carboxyphenyl)methyl]-5-chlorophenyl]methyl]benzoic acid IUPAC Name: 2-acetyloxy-3-[[2-acetyloxy-3-[(2-acetyloxy-3-carboxyphenyl)methyl]-5-chlorophenyl]methyl]benzoic acid Traditional Name: 2-acetoxy-3-[2-acetoxy-3-(2-acetoxy-3-carboxy-benzyl)-5-chloro-benzyl]benzoic acid Formula: C28H23ClO10 MolecularWeight: 554.92922

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=CC=C1CC2=CC(=CC(=C2OC(=O)C)CC3=CC=CC(=C3OC(=O)C)C(=O)O)Cl)C(=O)O

Isomeric SMILES

CC(=O)OC1=C(C=CC=C1CC2=CC(=CC(=C2OC(=O)C)CC3=CC=CC(=C3OC(=O)C)C(=O)O)Cl)C(=O)O

InChI

InChI=1S/C28H23ClO10/c1-14(30)37-24-19(10-17-6-4-8-22(27(33)34)25(17)38-15(2)31)12-21(29)13-20(24)11-18-7-5-9-23(28(35)36)26(18)39-16(3)32/h4-9,12-13H,10-11H2,1-3H3,(H,33,34)(H,35,36)