pentadecyl 2-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-benzoate

Systemtic Name: pentadecyl 2-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-benzoate Openeye Name: pentadecyl 5-hydroxy-2-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-benzoate CAS Name: 5-hydroxy-2-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]benzoic acid pentadecyl ester IUPAC Name: pentadecyl 5-hydroxy-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoate Traditional Name: 5-hydroxy-2-(3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl)oxy-benzoic acid pentadecyl ester Formula: C28H46O9 MolecularWeight: 526.65944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H46O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-35-27(34)21-18-20(30)15-16-22(21)36-28-26(33)25(32)24(31)23(19-29)37-28/h15-16,18,23-26,28-33H,2-14,17,19H2,1H3