6-(5-methyl-2-propan-2-yl-phenoxy)-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid

Systemtic Name: 6-(5-methyl-2-propan-2-yl-phenoxy)-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid Openeye Name: 3,4,5-trihydroxy-6-(2-isopropyl-5-methyl-phenoxy)tetrahydropyran-2-carboxylic acid CAS Name: 3,4,5-trihydroxy-6-(5-methyl-2-propan-2-ylphenoxy)-2-oxanecarboxylic acid IUPAC Name: 3,4,5-trihydroxy-6-(5-methyl-2-propan-2-ylphenoxy)oxane-2-carboxylic acid Traditional Name: 3,4,5-trihydroxy-6-(2-isopropyl-5-methyl-phenoxy)tetrahydropyran-2-carboxylic acid Formula: C16H22O7 MolecularWeight: 326.34168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OC2C(C(C(C(O2)C(=O)O)O)O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OC2C(C(C(C(O2)C(=O)O)O)O)O

InChI

InChI=1S/C16H22O7/c1-7(2)9-5-4-8(3)6-10(9)22-16-13(19)11(17)12(18)14(23-16)15(20)21/h4-7,11-14,16-19H,1-3H3,(H,20,21)