[4-azido-5-(2,2-dimethylpropanoyloxy)-2-methyl-6-(phenylsulfinyl)oxan-3-yl] benzoate

Systemtic Name: [4-azido-5-(2,2-dimethylpropanoyloxy)-2-methyl-6-(phenylsulfinyl)oxan-3-yl] benzoate Openeye Name: [4-azido-6-(benzenesulfinyl)-5-(2,2-dimethylpropanoyloxy)-2-methyl-tetrahydropyran-3-yl] benzoate CAS Name: benzoic acid [4-azido-6-(benzenesulfinyl)-5-(2,2-dimethyl-1-oxopropoxy)-2-methyl-3-oxanyl] ester IUPAC Name: [4-azido-6-(benzenesulfinyl)-5-(2,2-dimethylpropanoyloxy)-2-methyloxan-3-yl] benzoate Traditional Name: benzoic acid [4-azido-6-(benzenesulfinyl)-2-methyl-5-pivaloyloxy-tetrahydropyran-3-yl] ester Formula: C24H27N3O6S MolecularWeight: 485.55268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)S(=O)C2=CC=CC=C2)OC(=O)C(C)(C)C)N=[N+]=[N-])OC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1C(C(C(C(O1)S(=O)C2=CC=CC=C2)OC(=O)C(C)(C)C)N=[N+]=[N-])OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C24H27N3O6S/c1-15-19(32-21(28)16-11-7-5-8-12-16)18(26-27-25)20(33-23(29)24(2,3)4)22(31-15)34(30)17-13-9-6-10-14-17/h5-15,18-20,22H,1-4H3