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

Systemtic Name: [(2S,3S,4R)-2-azido-1,4-bis(phenylmethoxy)pentadecan-3-yl]oxymethylbenzene Openeye Name: [(1S,2R)-1-[(1S)-1-azido-2-benzyloxy-ethyl]-2-benzyloxy-tridecoxy]methylbenzene CAS Name: [(2S,3S,4R)-2-azido-1,4-bis(phenylmethoxy)pentadecan-3-yl]oxymethylbenzene IUPAC Name: [(2S,3S,4R)-2-azido-1,4-bis(phenylmethoxy)pentadecan-3-yl]oxymethylbenzene Traditional Name: [(1S,2R)-1-[(1S)-1-azido-2-benzoxy-ethyl]-2-benzoxy-tridecoxy]methylbenzene Formula: C36H49N3O3 MolecularWeight: 571.79256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(C(C(COCC1=CC=CC=C1)N=[N+]=[N-])OCC2=CC=CC=C2)OCC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCC[C@H]([C@H]([C@H](COCC1=CC=CC=C1)N=[N+]=[N-])OCC2=CC=CC=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C36H49N3O3/c1-2-3-4-5-6-7-8-9-19-26-35(41-28-32-22-15-11-16-23-32)36(42-29-33-24-17-12-18-25-33)34(38-39-37)30-40-27-31-20-13-10-14-21-31/h10-18,20-25,34-36H,2-9,19,26-30H2,1H3/t34-,35+,36-/m0/s1