Catalog Number:
AG002VX1
Chemical Name:
D-glycero-D-gulo-Heptononitrile, 2,6-anhydro-, 3,4,5,7-tetrabenzoate
CAS Number:
286369-05-9
Molecular Formula:
C35H27NO9
Molecular Weight:
605.5902
MDL Number:
MFCD09750807
IUPAC Name:
[(2R,3R,4R,5S,6S)-3,4,5-tribenzoyloxy-6-cyanooxan-2-yl]methyl benzoate
InChI:
InChI=1S/C35H27NO9/c36-21-27-29(43-33(38)24-15-7-2-8-16-24)31(45-35(40)26-19-11-4-12-20-26)30(44-34(39)25-17-9-3-10-18-25)28(42-27)22-41-32(37)23-13-5-1-6-14-23/h1-20,27-31H,22H2/t27-,28+,29-,30+,31+/m0/s1
InChI Key:
JKHRAWZFZMGIKG-JWXZHISWSA-N
SMILES:
N#C[C@@H]1O[C@H](COC(=O)c2ccccc2)[C@H]([C@@H]([C@H]1OC(=O)c1ccccc1)OC(=O)c1ccccc1)OC(=O)c1ccccc1
