1-[1,2-bis(2-oxidanyl-3-phenoxy-propyl)-1,4,7-triazonan-2-yl]-3-phenoxy-propan-2-ol

Systemtic Name: 1-[1,2-bis(2-oxidanyl-3-phenoxy-propyl)-1,4,7-triazonan-2-yl]-3-phenoxy-propan-2-ol Openeye Name: 1-[1,2-bis(2-hydroxy-3-phenoxy-propyl)-1,4,7-triazonan-2-yl]-3-phenoxy-propan-2-ol CAS Name: 1-[1,2-bis(2-hydroxy-3-phenoxypropyl)-1,4,7-triazonan-2-yl]-3-phenoxy-2-propanol IUPAC Name: 1-[1,2-bis(2-hydroxy-3-phenoxypropyl)-1,4,7-triazonan-2-yl]-3-phenoxypropan-2-ol Traditional Name: 1-[1,2-bis(2-hydroxy-3-phenoxy-propyl)-1,4,7-triazonan-2-yl]-3-phenoxy-propan-2-ol Formula: C33H45N3O6 MolecularWeight: 579.7269

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC(N(CCN1)CC(COC2=CC=CC=C2)O)(CC(COC3=CC=CC=C3)O)CC(COC4=CC=CC=C4)O

Isomeric SMILES

C1CNCC(N(CCN1)CC(COC2=CC=CC=C2)O)(CC(COC3=CC=CC=C3)O)CC(COC4=CC=CC=C4)O

InChI

InChI=1S/C33H45N3O6/c37-27(23-40-30-10-4-1-5-11-30)20-33(21-28(38)24-41-31-12-6-2-7-13-31)26-35-17-16-34-18-19-36(33)22-29(39)25-42-32-14-8-3-9-15-32/h1-15,27-29,34-35,37-39H,16-26H2