(2S,3S,4S,5R)-6-[1-[(2,4-dichlorophenyl)methyl]indazol-3-yl]carbonyloxy-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid

Systemtic Name: (2S,3S,4S,5R)-6-[1-[(2,4-dichlorophenyl)methyl]indazol-3-yl]carbonyloxy-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid Openeye Name: (2S,3S,4S,5R)-6-[1-[(2,4-dichlorophenyl)methyl]indazole-3-carbonyl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid CAS Name: (2S,3S,4S,5R)-6-[[1-[(2,4-dichlorophenyl)methyl]-3-indazolyl]-oxomethoxy]-3,4,5-trihydroxy-2-oxanecarboxylic acid IUPAC Name: (2S,3S,4S,5R)-6-[1-[(2,4-dichlorophenyl)methyl]indazole-3-carbonyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid Traditional Name: (2S,3S,4S,5R)-6-[1-(2,4-dichlorobenzyl)indazole-3-carbonyl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid Formula: C21H18Cl2N2O8 MolecularWeight: 497.28222

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN2CC3=C(C=C(C=C3)Cl)Cl)C(=O)OC4C(C(C(C(O4)C(=O)O)O)O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN2CC3=C(C=C(C=C3)Cl)Cl)C(=O)OC4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O

InChI

InChI=1S/C21H18Cl2N2O8/c22-10-6-5-9(12(23)7-10)8-25-13-4-2-1-3-11(13)14(24-25)20(31)33-21-17(28)15(26)16(27)18(32-21)19(29)30/h1-7,15-18,21,26-28H,8H2,(H,29,30)/t15-,16-,17+,18-,21?/m0/s1