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

Systemtic Name: [(2S,3S,4R)-2-azido-1,4-bis(phenylmethoxy)nonadecan-3-yl]oxymethylbenzene Openeye Name: [(1S,2R)-1-[(1S)-1-azido-2-benzyloxy-ethyl]-2-benzyloxy-heptadecoxy]methylbenzene CAS Name: [(2S,3S,4R)-2-azido-1,4-bis(phenylmethoxy)nonadecan-3-yl]oxymethylbenzene IUPAC Name: [(2S,3S,4R)-2-azido-1,4-bis(phenylmethoxy)nonadecan-3-yl]oxymethylbenzene Traditional Name: [(1S,2R)-1-[(1S)-1-azido-2-benzoxy-ethyl]-2-benzoxy-heptadecoxy]methylbenzene Formula: C40H57N3O3 MolecularWeight: 627.89888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C40H57N3O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-23-30-39(45-32-36-26-19-15-20-27-36)40(46-33-37-28-21-16-22-29-37)38(42-43-41)34-44-31-35-24-17-14-18-25-35/h14-22,24-29,38-40H,2-13,23,30-34H2,1H3/t38-,39+,40-/m0/s1