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

Systemtic Name: (2S,3S,4S,5R,6R)-6-[[4-(4-acetamido-3-chloranyl-phenyl)-2-chloranyl-phenyl]amino]-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid Openeye Name: (2S,3S,4S,5R,6R)-6-[4-(4-acetamido-3-chloro-phenyl)-2-chloro-anilino]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid CAS Name: (2S,3S,4S,5R,6R)-6-[4-(4-acetamido-3-chlorophenyl)-2-chloroanilino]-3,4,5-trihydroxy-2-oxanecarboxylic acid IUPAC Name: (2S,3S,4S,5R,6R)-6-[4-(4-acetamido-3-chlorophenyl)-2-chloroanilino]-3,4,5-trihydroxyoxane-2-carboxylic acid Traditional Name: (2S,3S,4S,5R,6R)-6-[4-(4-acetamido-3-chloro-phenyl)-2-chloro-anilino]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid Formula: C20H20Cl2N2O7 MolecularWeight: 471.288

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)C2=CC(=C(C=C2)NC3C(C(C(C(O3)C(=O)O)O)O)O)Cl)Cl

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)C2=CC(=C(C=C2)N[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)Cl)Cl

InChI

InChI=1S/C20H20Cl2N2O7/c1-8(25)23-13-4-2-9(6-11(13)21)10-3-5-14(12(22)7-10)24-19-17(28)15(26)16(27)18(31-19)20(29)30/h2-7,15-19,24,26-28H,1H3,(H,23,25)(H,29,30)/t15-,16-,17+,18-,19+/m0/s1