[(2S,3R,4E,8E)-2-azido-9-methyl-1-(triphenylmethyl)oxy-octadeca-4,8-dien-3-yl] benzoate

Systemtic Name: [(2S,3R,4E,8E)-2-azido-9-methyl-1-(triphenylmethyl)oxy-octadeca-4,8-dien-3-yl] benzoate Openeye Name: [(1R,2E,6E)-1-[(1S)-1-azido-2-trityloxy-ethyl]-7-methyl-hexadeca-2,6-dienyl] benzoate CAS Name: benzoic acid [(2S,3R,4E,8E)-2-azido-9-methyl-1-(triphenylmethyl)oxyoctadeca-4,8-dien-3-yl] ester IUPAC Name: [(2S,3R,4E,8E)-2-azido-9-methyl-1-trityloxyoctadeca-4,8-dien-3-yl] benzoate Traditional Name: benzoic acid [(1R,2E,6E)-1-[(1S)-1-azido-2-trityloxy-ethyl]-7-methyl-hexadeca-2,6-dienyl] ester Formula: C45H53N3O3 MolecularWeight: 683.92062

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=CCCC=CC(C(COC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)N=[N+]=[N-])OC(=O)C4=CC=CC=C4)C

Isomeric SMILES

CCCCCCCCC/C(=C/CC/C=C/[C@H]([C@H](COC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)N=[N+]=[N-])OC(=O)C4=CC=CC=C4)/C

InChI

InChI=1S/C45H53N3O3/c1-3-4-5-6-7-8-14-25-37(2)26-15-9-24-35-43(51-44(49)38-27-16-10-17-28-38)42(47-48-46)36-50-45(39-29-18-11-19-30-39,40-31-20-12-21-32-40)41-33-22-13-23-34-41/h10-13,16-24,26-35,42-43H,3-9,14-15,25,36H2,1-2H3/b35-24+,37-26+/t42-,43+/m0/s1