methyl 3,5-bis[[1-[(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]-1,2,3-triazol-4-yl]methoxy]benzoate

Systemtic Name: methyl 3,5-bis[[1-[(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]-1,2,3-triazol-4-yl]methoxy]benzoate Openeye Name: methyl 3,5-bis[[1-[(2R,3R,4S,5S,6R)-3,4,5-tribenzyloxy-6-(benzyloxymethyl)tetrahydropyran-2-yl]triazol-4-yl]methoxy]benzoate CAS Name: 3,5-bis[[1-[(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)-2-oxanyl]-4-triazolyl]methoxy]benzoic acid methyl ester IUPAC Name: methyl 3,5-bis[[1-[(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]triazol-4-yl]methoxy]benzoate Traditional Name: 3,5-bis[[1-[(2R,3R,4S,5S,6R)-3,4,5-tribenzoxy-6-(benzoxymethyl)tetrahydropyran-2-yl]triazol-4-yl]methoxy]benzoic acid methyl ester Formula: C82H82N6O14 MolecularWeight: 1375.56028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)OCC2=CN(N=N2)C3C(C(C(C(O3)COCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7)OCC8=CN(N=N8)C9C(C(C(C(O9)COCC1=CC=CC=C1)OCC1=CC=CC=C1)OCC1=CC=CC=C1)OCC1=CC=CC=C1

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)OCC2=CN(N=N2)[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)COCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7)OCC8=CN(N=N8)[C@H]9[C@@H]([C@H]([C@H]([C@H](O9)COCC1=CC=CC=C1)OCC1=CC=CC=C1)OCC1=CC=CC=C1)OCC1=CC=CC=C1

InChI

InChI=1S/C82H82N6O14/c1-90-82(89)67-42-70(93-55-68-45-87(85-83-68)80-78(99-53-65-38-22-8-23-39-65)76(97-51-63-34-18-6-19-35-63)74(95-49-61-30-14-4-15-31-61)72(101-80)57-91-47-59-26-10-2-11-27-59)44-71(43-67)94-56-69-46-88(86-84-69)81-79(100-54-66-40-24-9-25-41-66)77(98-52-64-36-20-7-21-37-64)75(96-50-62-32-16-5-17-33-62)73(102-81)58-92-48-60-28-12-3-13-29-60/h2-46,72-81H,47-58H2,1H3/t72-,73-,74+,75+,76+,77+,78-,79-,80-,81-/m1/s1