[(2R,3S,4R)-1-azido-2,4-bis(phenylmethoxy)hept-6-yn-3-yl]oxymethylbenzene

Systemtic Name: [(2R,3S,4R)-1-azido-2,4-bis(phenylmethoxy)hept-6-yn-3-yl]oxymethylbenzene Openeye Name: [(1S,2R)-1-[(1R)-2-azido-1-benzyloxy-ethyl]-2-benzyloxy-pent-4-ynoxy]methylbenzene CAS Name: [(2R,3S,4R)-1-azido-2,4-bis(phenylmethoxy)hept-6-yn-3-yl]oxymethylbenzene IUPAC Name: [(2R,3S,4R)-1-azido-2,4-bis(phenylmethoxy)hept-6-yn-3-yl]oxymethylbenzene Traditional Name: [(1S,2R)-1-[(1R)-2-azido-1-benzoxy-ethyl]-2-benzoxy-pent-4-ynoxy]methylbenzene Formula: C28H29N3O3 MolecularWeight: 455.54816

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Descriptors Computed from Structure

Canonical SMILES:

C#CCC(C(C(CN=[N+]=[N-])OCC1=CC=CC=C1)OCC2=CC=CC=C2)OCC3=CC=CC=C3

Isomeric SMILES

C#CC[C@H]([C@@H]([C@@H](CN=[N+]=[N-])OCC1=CC=CC=C1)OCC2=CC=CC=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C28H29N3O3/c1-2-12-26(32-20-23-13-6-3-7-14-23)28(34-22-25-17-10-5-11-18-25)27(19-30-31-29)33-21-24-15-8-4-9-16-24/h1,3-11,13-18,26-28H,12,19-22H2/t26-,27-,28+/m1/s1