[(E,2S,3R)-2-azido-3-phenylmethoxy-octadec-4-enoxy]methylbenzene

Systemtic Name: [(E,2S,3R)-2-azido-3-phenylmethoxy-octadec-4-enoxy]methylbenzene Openeye Name: [(E,1R)-1-[(1S)-1-azido-2-benzyloxy-ethyl]hexadec-2-enoxy]methylbenzene CAS Name: [(E,2S,3R)-2-azido-3-phenylmethoxyoctadec-4-enoxy]methylbenzene IUPAC Name: [(E,2S,3R)-2-azido-3-phenylmethoxyoctadec-4-enoxy]methylbenzene Traditional Name: [(E,1R)-1-[(1S)-1-azido-2-benzoxy-ethyl]hexadec-2-enoxy]methylbenzene Formula: C32H47N3O2 MolecularWeight: 505.73448

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=CC(C(COCC1=CC=CC=C1)N=[N+]=[N-])OCC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCC/C=C/[C@H]([C@H](COCC1=CC=CC=C1)N=[N+]=[N-])OCC2=CC=CC=C2

InChI

InChI=1S/C32H47N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-20-25-32(37-27-30-23-18-15-19-24-30)31(34-35-33)28-36-26-29-21-16-14-17-22-29/h14-25,31-32H,2-13,26-28H2,1H3/b25-20+/t31-,32+/m0/s1