benzotriazol-1-yl (3R,5R)-1,3,4,5-tetraacetyloxycyclohexane-1-carboxylate

Systemtic Name: benzotriazol-1-yl (3R,5R)-1,3,4,5-tetraacetyloxycyclohexane-1-carboxylate Openeye Name: benzotriazol-1-yl (3R,5R)-1,3,4,5-tetraacetoxycyclohexanecarboxylate CAS Name: (3R,5R)-1,3,4,5-tetraacetyloxy-1-cyclohexanecarboxylic acid 1-benzotriazolyl ester IUPAC Name: benzotriazol-1-yl (3R,5R)-1,3,4,5-tetraacetyloxycyclohexane-1-carboxylate Traditional Name: (3R,5R)-1,3,4,5-tetraacetoxycyclohexanecarboxylic acid benzotriazol-1-yl ester Formula: C21H23N3O10 MolecularWeight: 477.42142

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CC(CC(C1OC(=O)C)OC(=O)C)(C(=O)ON2C3=CC=CC=C3N=N2)OC(=O)C

Isomeric SMILES

CC(=O)O[C@@H]1CC(C[C@H](C1OC(=O)C)OC(=O)C)(C(=O)ON2C3=CC=CC=C3N=N2)OC(=O)C

InChI

InChI=1S/C21H23N3O10/c1-11(25)30-17-9-21(33-14(4)28,10-18(31-12(2)26)19(17)32-13(3)27)20(29)34-24-16-8-6-5-7-15(16)22-23-24/h5-8,17-19H,9-10H2,1-4H3/t17-,18-,19?,21?/m1/s1