(4S,6S,12R)-4-azido-1,1-dimethoxy-12-phenylmethoxy-tridecan-6-ol

Systemtic Name: (4S,6S,12R)-4-azido-1,1-dimethoxy-12-phenylmethoxy-tridecan-6-ol Openeye Name: (4S,6S,12R)-4-azido-12-benzyloxy-1,1-dimethoxy-tridecan-6-ol CAS Name: (4S,6S,12R)-4-azido-1,1-dimethoxy-12-phenylmethoxy-6-tridecanol IUPAC Name: (4S,6S,12R)-4-azido-1,1-dimethoxy-12-phenylmethoxytridecan-6-ol Traditional Name: (4S,6S,12R)-4-azido-12-benzoxy-1,1-dimethoxy-tridecan-6-ol Formula: C22H37N3O4 MolecularWeight: 407.54688

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCCC(CC(CCC(OC)OC)N=[N+]=[N-])O)OCC1=CC=CC=C1

Isomeric SMILES

C[C@H](CCCCC[C@@H](C[C@H](CCC(OC)OC)N=[N+]=[N-])O)OCC1=CC=CC=C1

InChI

InChI=1S/C22H37N3O4/c1-18(29-17-19-11-7-5-8-12-19)10-6-4-9-13-21(26)16-20(24-25-23)14-15-22(27-2)28-3/h5,7-8,11-12,18,20-22,26H,4,6,9-10,13-17H2,1-3H3/t18-,20+,21+/m1/s1