tris[3-[2,3-bis(oxidanyl)phenoxy]propyl]azanium

Systemtic Name: tris[3-[2,3-bis(oxidanyl)phenoxy]propyl]azanium Openeye Name: tris[3-(2,3-dihydroxyphenoxy)propyl]ammonium CAS Name: tris[3-(2,3-dihydroxyphenoxy)propyl]ammonium IUPAC Name: tris[3-(2,3-dihydroxyphenoxy)propyl]azanium Traditional Name: tris[3-(2,3-dihydroxyphenoxy)propyl]ammonium Formula: C27H34NO9+ MolecularWeight: 516.56016

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)OCCC[NH+](CCCOC2=CC=CC(=C2O)O)CCCOC3=CC=CC(=C3O)O)O)O

Isomeric SMILES

C1=CC(=C(C(=C1)OCCC[NH+](CCCOC2=CC=CC(=C2O)O)CCCOC3=CC=CC(=C3O)O)O)O

InChI

InChI=1S/C27H33NO9/c29-19-7-1-10-22(25(19)32)35-16-4-13-28(14-5-17-36-23-11-2-8-20(30)26(23)33)15-6-18-37-24-12-3-9-21(31)27(24)34/h1-3,7-12,29-34H,4-6,13-18H2/p+1