1-[4-methoxy-3-[6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]phenyl]cyclohexane-1-carboxylic acid

Systemtic Name: 1-[4-methoxy-3-[6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]phenyl]cyclohexane-1-carboxylic acid Openeye Name: 1-[4-methoxy-3-(3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)phenyl]cyclohexanecarboxylic acid CAS Name: 1-[4-methoxy-3-(3,4,5-trihydroxy-6-methyl-2-oxanyl)phenyl]-1-cyclohexanecarboxylic acid IUPAC Name: 1-[4-methoxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)phenyl]cyclohexane-1-carboxylic acid Traditional Name: 1-[4-methoxy-3-(3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)phenyl]cyclohexanecarboxylic acid Formula: C20H28O7 MolecularWeight: 380.43212

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)C2=C(C=CC(=C2)C3(CCCCC3)C(=O)O)OC)O)O)O

Isomeric SMILES

CC1C(C(C(C(O1)C2=C(C=CC(=C2)C3(CCCCC3)C(=O)O)OC)O)O)O

InChI

InChI=1S/C20H28O7/c1-11-15(21)16(22)17(23)18(27-11)13-10-12(6-7-14(13)26-2)20(19(24)25)8-4-3-5-9-20/h6-7,10-11,15-18,21-23H,3-5,8-9H2,1-2H3,(H,24,25)