2-[2-oxidanylidene-1,3,3-tris(1-oxidanyl-1-oxidanylidene-propan-2-yl)cyclohexyl]propanoic acid

Systemtic Name: 2-[2-oxidanylidene-1,3,3-tris(1-oxidanyl-1-oxidanylidene-propan-2-yl)cyclohexyl]propanoic acid Openeye Name: 2-[1,3,3-tris(2-hydroxy-1-methyl-2-oxo-ethyl)-2-oxo-cyclohexyl]propanoic acid CAS Name: 2-[1,3,3-tris(1-hydroxy-1-oxopropan-2-yl)-2-oxocyclohexyl]propanoic acid IUPAC Name: 2-[1,3,3-tris(1-hydroxy-1-oxopropan-2-yl)-2-oxocyclohexyl]propanoic acid Traditional Name: 2-[1,3,3-tris(2-hydroxy-2-keto-1-methyl-ethyl)-2-keto-cyclohexyl]propionic acid Formula: C18H26O9 MolecularWeight: 386.39364

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)C1(CCCC(C1=O)(C(C)C(=O)O)C(C)C(=O)O)C(C)C(=O)O

Isomeric SMILES

CC(C(=O)O)C1(CCCC(C1=O)(C(C)C(=O)O)C(C)C(=O)O)C(C)C(=O)O

InChI

InChI=1S/C18H26O9/c1-8(12(19)20)17(9(2)13(21)22)6-5-7-18(16(17)27,10(3)14(23)24)11(4)15(25)26/h8-11H,5-7H2,1-4H3,(H,19,20)(H,21,22)(H,23,24)(H,25,26)