[(2R,12R)-1-[3,5-bis(oxidanyl)phenyl]-12-oxidanyl-tridecan-2-yl] ethanoate

Systemtic Name: [(2R,12R)-1-[3,5-bis(oxidanyl)phenyl]-12-oxidanyl-tridecan-2-yl] ethanoate Openeye Name: [(1R,11R)-1-[(3,5-dihydroxyphenyl)methyl]-11-hydroxy-dodecyl] acetate CAS Name: acetic acid [(2R,12R)-1-(3,5-dihydroxyphenyl)-12-hydroxytridecan-2-yl] ester IUPAC Name: [(2R,12R)-1-(3,5-dihydroxyphenyl)-12-hydroxytridecan-2-yl] acetate Traditional Name: acetic acid [(1R,11R)-1-(3,5-dihydroxybenzyl)-11-hydroxy-dodecyl] ester Formula: C21H34O5 MolecularWeight: 366.49166

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCCCCCCC(CC1=CC(=CC(=C1)O)O)OC(=O)C)O

Isomeric SMILES

C[C@H](CCCCCCCCC[C@H](CC1=CC(=CC(=C1)O)O)OC(=O)C)O

InChI

InChI=1S/C21H34O5/c1-16(22)10-8-6-4-3-5-7-9-11-21(26-17(2)23)14-18-12-19(24)15-20(25)13-18/h12-13,15-16,21-22,24-25H,3-11,14H2,1-2H3/t16-,21-/m1/s1