(2S,3S,4S,5R,6S)-6-[2-[2-[2,4-bis(chloranyl)phenoxy]phenyl]ethanoyloxy]-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid

Systemtic Name: (2S,3S,4S,5R,6S)-6-[2-[2-[2,4-bis(chloranyl)phenoxy]phenyl]ethanoyloxy]-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid Openeye Name: (2S,3S,4S,5R,6S)-6-[2-[2-(2,4-dichlorophenoxy)phenyl]acetyl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid CAS Name: (2S,3S,4S,5R,6S)-6-[2-[2-(2,4-dichlorophenoxy)phenyl]-1-oxoethoxy]-3,4,5-trihydroxy-2-oxanecarboxylic acid IUPAC Name: (2S,3S,4S,5R,6S)-6-[2-[2-(2,4-dichlorophenoxy)phenyl]acetyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid Traditional Name: (2S,3S,4S,5R,6S)-6-[2-[2-(2,4-dichlorophenoxy)phenyl]acetyl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid Formula: C20H18Cl2O9 MolecularWeight: 473.25752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CC(=O)OC2C(C(C(C(O2)C(=O)O)O)O)O)OC3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

C1=CC=C(C(=C1)CC(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)OC3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C20H18Cl2O9/c21-10-5-6-13(11(22)8-10)29-12-4-2-1-3-9(12)7-14(23)30-20-17(26)15(24)16(25)18(31-20)19(27)28/h1-6,8,15-18,20,24-26H,7H2,(H,27,28)/t15-,16-,17+,18-,20+/m0/s1