4-azanyl-N1,N2,N3-tris[2,3-bis(oxidanyl)propyl]benzene-1,2,3-tricarboxamide

Systemtic Name: 4-azanyl-N1,N2,N3-tris[2,3-bis(oxidanyl)propyl]benzene-1,2,3-tricarboxamide Openeye Name: 4-amino-N1,N2,N3-tris(2,3-dihydroxypropyl)benzene-1,2,3-tricarboxamide CAS Name: 4-amino-N1,N2,N3-tris(2,3-dihydroxypropyl)benzene-1,2,3-tricarboxamide IUPAC Name: 4-amino-1-N,2-N,3-N-tris(2,3-dihydroxypropyl)benzene-1,2,3-tricarboxamide Traditional Name: 4-amino-N1,N2,N3-triglyceryl-benzene-1,2,3-tricarboxamide Formula: C18H28N4O9 MolecularWeight: 444.43632

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1C(=O)NCC(CO)O)C(=O)NCC(CO)O)C(=O)NCC(CO)O)N

Isomeric SMILES

C1=CC(=C(C(=C1C(=O)NCC(CO)O)C(=O)NCC(CO)O)C(=O)NCC(CO)O)N

InChI

InChI=1S/C18H28N4O9/c19-13-2-1-12(16(29)20-3-9(26)6-23)14(17(30)21-4-10(27)7-24)15(13)18(31)22-5-11(28)8-25/h1-2,9-11,23-28H,3-8,19H2,(H,20,29)(H,21,30)(H,22,31)