[(2R)-1-[2-methanoyl-5-methoxy-3,6-bis(oxidanyl)phenyl]tridecan-2-yl] ethanoate

Systemtic Name: [(2R)-1-[2-methanoyl-5-methoxy-3,6-bis(oxidanyl)phenyl]tridecan-2-yl] ethanoate Openeye Name: [(1R)-1-[(2-formyl-3,6-dihydroxy-5-methoxy-phenyl)methyl]dodecyl] acetate CAS Name: acetic acid [(2R)-1-(2-formyl-3,6-dihydroxy-5-methoxyphenyl)tridecan-2-yl] ester IUPAC Name: [(2R)-1-(2-formyl-3,6-dihydroxy-5-methoxyphenyl)tridecan-2-yl] acetate Traditional Name: acetic acid [(1R)-1-(2-formyl-3,6-dihydroxy-5-methoxy-benzyl)dodecyl] ester Formula: C23H36O6 MolecularWeight: 408.52834

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(CC1=C(C(=CC(=C1O)OC)O)C=O)OC(=O)C

Isomeric SMILES

CCCCCCCCCCC[C@H](CC1=C(C(=CC(=C1O)OC)O)C=O)OC(=O)C

InChI

InChI=1S/C23H36O6/c1-4-5-6-7-8-9-10-11-12-13-18(29-17(2)25)14-19-20(16-24)21(26)15-22(28-3)23(19)27/h15-16,18,26-27H,4-14H2,1-3H3/t18-/m1/s1