2-azanyl-5-[4-azanyl-3-[2-azanyl-5-(4-azanyl-3-carboxy-phenyl)phenyl]carbonyloxycarbonyl-phenyl]benzoic acid

Systemtic Name: 2-azanyl-5-[4-azanyl-3-[2-azanyl-5-(4-azanyl-3-carboxy-phenyl)phenyl]carbonyloxycarbonyl-phenyl]benzoic acid Openeye Name: 2-amino-5-[4-amino-3-[2-amino-5-(4-amino-3-carboxy-phenyl)benzoyl]oxycarbonyl-phenyl]benzoic acid CAS Name: 2-amino-5-[4-amino-3-[[[2-amino-5-(4-amino-3-carboxyphenyl)phenyl]-oxomethoxy]-oxomethyl]phenyl]benzoic acid IUPAC Name: 2-amino-5-[4-amino-3-[2-amino-5-(4-amino-3-carboxyphenyl)benzoyl]oxycarbonylphenyl]benzoic acid Traditional Name: 2-amino-5-[4-amino-3-[2-amino-5-(4-amino-3-carboxy-phenyl)benzoyl]oxycarbonyl-phenyl]benzoic acid Formula: C28H22N4O7 MolecularWeight: 526.49688

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C2=CC(=C(C=C2)N)C(=O)OC(=O)C3=C(C=CC(=C3)C4=CC(=C(C=C4)N)C(=O)O)N)C(=O)O)N

Isomeric SMILES

C1=CC(=C(C=C1C2=CC(=C(C=C2)N)C(=O)OC(=O)C3=C(C=CC(=C3)C4=CC(=C(C=C4)N)C(=O)O)N)C(=O)O)N

InChI

InChI=1S/C28H22N4O7/c29-21-5-1-13(9-17(21)25(33)34)15-3-7-23(31)19(11-15)27(37)39-28(38)20-12-16(4-8-24(20)32)14-2-6-22(30)18(10-14)26(35)36/h1-12H,29-32H2,(H,33,34)(H,35,36)