[(3S,4R,5R)-5-(4-methylphenoxy)-2-oxidanyl-3-phenylmethoxy-oxan-4-yl] 4-chloranylbenzoate

Systemtic Name: [(3S,4R,5R)-5-(4-methylphenoxy)-2-oxidanyl-3-phenylmethoxy-oxan-4-yl] 4-chloranylbenzoate Openeye Name: [(3S,4R,5R)-3-benzyloxy-2-hydroxy-5-(4-methylphenoxy)tetrahydropyran-4-yl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [(3S,4R,5R)-2-hydroxy-5-(4-methylphenoxy)-3-phenylmethoxy-4-oxanyl] ester IUPAC Name: [(3S,4R,5R)-2-hydroxy-5-(4-methylphenoxy)-3-phenylmethoxyoxan-4-yl] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [(3S,4R,5R)-3-benzoxy-2-hydroxy-5-(4-methylphenoxy)tetrahydropyran-4-yl] ester Formula: C26H25ClO6 MolecularWeight: 468.9261

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC2COC(C(C2OC(=O)C3=CC=C(C=C3)Cl)OCC4=CC=CC=C4)O

Isomeric SMILES

CC1=CC=C(C=C1)O[C@@H]2COC([C@H]([C@@H]2OC(=O)C3=CC=C(C=C3)Cl)OCC4=CC=CC=C4)O

InChI

InChI=1S/C26H25ClO6/c1-17-7-13-21(14-8-17)32-22-16-31-26(29)24(30-15-18-5-3-2-4-6-18)23(22)33-25(28)19-9-11-20(27)12-10-19/h2-14,22-24,26,29H,15-16H2,1H3/t22-,23-,24+,26?/m1/s1