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

Systemtic Name: hexadecyl 2-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-benzoate Openeye Name: hexadecyl 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 hexadecyl ester IUPAC Name: hexadecyl 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 cetyl ester Formula: C29H48O9 MolecularWeight: 540.68602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H48O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-36-28(35)22-19-21(31)16-17-23(22)37-29-27(34)26(33)25(32)24(20-30)38-29/h16-17,19,24-27,29-34H,2-15,18,20H2,1H3