azane; 3-bromanyl-5-(3-bromanyl-5-carboxy-4-methoxy-phenyl)carbonyl-2-methoxy-benzoic acid

Systemtic Name: azane; 3-bromanyl-5-(3-bromanyl-5-carboxy-4-methoxy-phenyl)carbonyl-2-methoxy-benzoic acid Openeye Name: ammonia; 3-bromo-5-(3-bromo-5-carboxy-4-methoxy-benzoyl)-2-methoxy-benzoic acid CAS Name: ammonia; 3-bromo-5-[(3-bromo-5-carboxy-4-methoxyphenyl)-oxomethyl]-2-methoxybenzoic acid IUPAC Name: azane; 3-bromo-5-(3-bromo-5-carboxy-4-methoxybenzoyl)-2-methoxybenzoic acid Traditional Name: ammonia; 3-bromo-5-(3-bromo-5-carboxy-4-methoxy-benzoyl)-2-methoxy-benzoic acid Formula: C17H15Br2NO7 MolecularWeight: 505.1115

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1Br)C(=O)C2=CC(=C(C(=C2)Br)OC)C(=O)O)C(=O)O.N

Isomeric SMILES

COC1=C(C=C(C=C1Br)C(=O)C2=CC(=C(C(=C2)Br)OC)C(=O)O)C(=O)O.N

InChI

InChI=1S/C17H12Br2O7.H3N/c1-25-14-9(16(21)22)3-7(5-11(14)18)13(20)8-4-10(17(23)24)15(26-2)12(19)6-8;/h3-6H,1-2H3,(H,21,22)(H,23,24);1H3