5-acetyloxy-4-azido-3-(phenylcarbonyloxy)-6-phenylsulfanyl-oxane-2-carboxylic acid

Systemtic Name: 5-acetyloxy-4-azido-3-(phenylcarbonyloxy)-6-phenylsulfanyl-oxane-2-carboxylic acid Openeye Name: 5-acetoxy-4-azido-3-benzoyloxy-6-phenylsulfanyl-tetrahydropyran-2-carboxylic acid CAS Name: 5-acetyloxy-4-azido-3-benzoyloxy-6-(phenylthio)-2-oxanecarboxylic acid IUPAC Name: 5-acetyloxy-4-azido-3-benzoyloxy-6-phenylsulfanyloxane-2-carboxylic acid Traditional Name: 5-acetoxy-4-azido-3-benzoyloxy-6-(phenylthio)tetrahydropyran-2-carboxylic acid Formula: C21H19N3O7S MolecularWeight: 457.45646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(C(C(OC1SC2=CC=CC=C2)C(=O)O)OC(=O)C3=CC=CC=C3)N=[N+]=[N-]

Isomeric SMILES

CC(=O)OC1C(C(C(OC1SC2=CC=CC=C2)C(=O)O)OC(=O)C3=CC=CC=C3)N=[N+]=[N-]

InChI

InChI=1S/C21H19N3O7S/c1-12(25)29-17-15(23-24-22)16(30-20(28)13-8-4-2-5-9-13)18(19(26)27)31-21(17)32-14-10-6-3-7-11-14/h2-11,15-18,21H,1H3,(H,26,27)