5-acetamido-4-methoxy-2-(4-methyl-2-oxidanylidene-chromen-7-yl)oxy-4-oxidanyl-6-[1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid

Systemtic Name: 5-acetamido-4-methoxy-2-(4-methyl-2-oxidanylidene-chromen-7-yl)oxy-4-oxidanyl-6-[1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid Openeye Name: 5-acetamido-4-hydroxy-4-methoxy-2-(4-methyl-2-oxo-chromen-7-yl)oxy-6-(1,2,3-trihydroxypropyl)tetrahydropyran-2-carboxylic acid CAS Name: 5-acetamido-4-hydroxy-4-methoxy-2-[(4-methyl-2-oxo-1-benzopyran-7-yl)oxy]-6-(1,2,3-trihydroxypropyl)-2-oxanecarboxylic acid IUPAC Name: 5-acetamido-4-hydroxy-4-methoxy-2-(4-methyl-2-oxochromen-7-yl)oxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid Traditional Name: 5-acetamido-4-hydroxy-2-(2-keto-4-methyl-chromen-7-yl)oxy-4-methoxy-6-(1,2,3-trihydroxypropyl)tetrahydropyran-2-carboxylic acid Formula: C22H27NO12 MolecularWeight: 497.44928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)OC3(CC(C(C(O3)C(C(CO)O)O)NC(=O)C)(O)OC)C(=O)O

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)OC3(CC(C(C(O3)C(C(CO)O)O)NC(=O)C)(O)OC)C(=O)O

InChI

InChI=1S/C22H27NO12/c1-10-6-16(27)33-15-7-12(4-5-13(10)15)34-22(20(29)30)9-21(31,32-3)19(23-11(2)25)18(35-22)17(28)14(26)8-24/h4-7,14,17-19,24,26,28,31H,8-9H2,1-3H3,(H,23,25)(H,29,30)