4-[3-[6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]propyl]benzoic acid

Systemtic Name: 4-[3-[6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]propyl]benzoic acid Openeye Name: 4-[3-(3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)propyl]benzoic acid CAS Name: 4-[3-(3,4,5-trihydroxy-6-methyl-2-oxanyl)propyl]benzoic acid IUPAC Name: 4-[3-(3,4,5-trihydroxy-6-methyloxan-2-yl)propyl]benzoic acid Traditional Name: 4-[3-(3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)propyl]benzoic acid Formula: C16H22O6 MolecularWeight: 310.34228

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)CCCC2=CC=C(C=C2)C(=O)O)O)O)O

Isomeric SMILES

CC1C(C(C(C(O1)CCCC2=CC=C(C=C2)C(=O)O)O)O)O

InChI

InChI=1S/C16H22O6/c1-9-13(17)15(19)14(18)12(22-9)4-2-3-10-5-7-11(8-6-10)16(20)21/h5-9,12-15,17-19H,2-4H2,1H3,(H,20,21)