2-[2-[[4-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyphenyl]methoxy]-1-oxidanyl-2-oxidanylidene-ethyl]-4-methyl-2-oxidanyl-pentanoic acid

Systemtic Name: 2-[2-[[4-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyphenyl]methoxy]-1-oxidanyl-2-oxidanylidene-ethyl]-4-methyl-2-oxidanyl-pentanoic acid Openeye Name: 2-hydroxy-2-[1-hydroxy-2-oxo-2-[[4-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyphenyl]methoxy]ethyl]-4-methyl-pentanoic acid CAS Name: 2-hydroxy-2-[1-hydroxy-2-oxo-2-[[4-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]phenyl]methoxy]ethyl]-4-methylpentanoic acid IUPAC Name: 2-hydroxy-2-[1-hydroxy-2-oxo-2-[[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methoxy]ethyl]-4-methylpentanoic acid Traditional Name: 2-hydroxy-2-[1-hydroxy-2-keto-2-[4-(3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl)oxybenzyl]oxy-ethyl]-4-methyl-valeric acid Formula: C21H30O12 MolecularWeight: 474.4557

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(C(=O)OCC1=CC=C(C=C1)OC2C(C(C(C(O2)CO)O)O)O)O)(C(=O)O)O

Isomeric SMILES

CC(C)CC(C(C(=O)OCC1=CC=C(C=C1)OC2C(C(C(C(O2)CO)O)O)O)O)(C(=O)O)O

InChI

InChI=1S/C21H30O12/c1-10(2)7-21(30,20(28)29)17(26)18(27)31-9-11-3-5-12(6-4-11)32-19-16(25)15(24)14(23)13(8-22)33-19/h3-6,10,13-17,19,22-26,30H,7-9H2,1-2H3,(H,28,29)