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

Systemtic Name: heptadecyl 2-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-benzoate Openeye Name: heptadecyl 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 heptadecyl ester IUPAC Name: heptadecyl 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 heptadecyl ester Formula: C30H50O9 MolecularWeight: 554.7126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H50O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-37-29(36)23-20-22(32)17-18-24(23)38-30-28(35)27(34)26(33)25(21-31)39-30/h17-18,20,25-28,30-35H,2-16,19,21H2,1H3