[3-[[4-[[4-[(3,5-diphosphonophenyl)carbamoyl]phenyl]carbamoylamino]phenyl]carbonylamino]-5-phosphono-phenyl]phosphonic acid

Systemtic Name: [3-[[4-[[4-[(3,5-diphosphonophenyl)carbamoyl]phenyl]carbamoylamino]phenyl]carbonylamino]-5-phosphono-phenyl]phosphonic acid Openeye Name: [3-[[4-[[4-[(3,5-diphosphonophenyl)carbamoyl]phenyl]carbamoylamino]benzoyl]amino]-5-phosphono-phenyl]phosphonic acid CAS Name: [3-[[[4-[[[4-[(3,5-diphosphonoanilino)-oxomethyl]anilino]-oxomethyl]amino]phenyl]-oxomethyl]amino]-5-phosphonophenyl]phosphonic acid IUPAC Name: [3-[[4-[[4-[(3,5-diphosphonophenyl)carbamoyl]phenyl]carbamoylamino]benzoyl]amino]-5-phosphonophenyl]phosphonic acid Traditional Name: [3-[[4-[[4-[(3,5-diphosphonophenyl)carbamoyl]phenyl]carbamoylamino]benzoyl]amino]-5-phosphono-phenyl]phosphonic acid Formula: C27H26N4O15P4 MolecularWeight: 770.408184

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC2=CC(=CC(=C2)P(=O)(O)O)P(=O)(O)O)NC(=O)NC3=CC=C(C=C3)C(=O)NC4=CC(=CC(=C4)P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC2=CC(=CC(=C2)P(=O)(O)O)P(=O)(O)O)NC(=O)NC3=CC=C(C=C3)C(=O)NC4=CC(=CC(=C4)P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C27H26N4O15P4/c32-25(28-19-9-21(47(35,36)37)13-22(10-19)48(38,39)40)15-1-5-17(6-2-15)30-27(34)31-18-7-3-16(4-8-18)26(33)29-20-11-23(49(41,42)43)14-24(12-20)50(44,45)46/h1-14H,(H,28,32)(H,29,33)(H2,30,31,34)(H2,35,36,37)(H2,38,39,40)(H2,41,42,43)(H2,44,45,46)