2-[[2-(2-carboxyphenyl)carbonyloxy-5-chloranyl-phenyl]-(3-iodanylphenyl)carbonyl-carbamoyl]benzoic acid

Systemtic Name: 2-[[2-(2-carboxyphenyl)carbonyloxy-5-chloranyl-phenyl]-(3-iodanylphenyl)carbonyl-carbamoyl]benzoic acid Openeye Name: 2-[[2-(2-carboxybenzoyl)oxy-5-chloro-phenyl]-(3-iodobenzoyl)carbamoyl]benzoic acid CAS Name: 2-[[2-[(2-carboxyphenyl)-oxomethoxy]-5-chloro-N-[(3-iodophenyl)-oxomethyl]anilino]-oxomethyl]benzoic acid IUPAC Name: 2-[[2-(2-carboxybenzoyl)oxy-5-chlorophenyl]-(3-iodobenzoyl)carbamoyl]benzoic acid Traditional Name: 2-[[2-(2-carboxybenzoyl)oxy-5-chloro-phenyl]-(3-iodobenzoyl)carbamoyl]benzoic acid Formula: C29H17ClINO8 MolecularWeight: 669.80465

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)N(C2=C(C=CC(=C2)Cl)OC(=O)C3=CC=CC=C3C(=O)O)C(=O)C4=CC(=CC=C4)I)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)N(C2=C(C=CC(=C2)Cl)OC(=O)C3=CC=CC=C3C(=O)O)C(=O)C4=CC(=CC=C4)I)C(=O)O

InChI

InChI=1S/C29H17ClINO8/c30-17-12-13-24(40-29(39)22-11-4-3-10-21(22)28(37)38)23(15-17)32(25(33)16-6-5-7-18(31)14-16)26(34)19-8-1-2-9-20(19)27(35)36/h1-15H,(H,35,36)(H,37,38)