[(2R,11S)-1-[3,5-bis(oxidanyl)phenyl]-11-oxidanyl-tridecan-2-yl] ethanoate

Systemtic Name: [(2R,11S)-1-[3,5-bis(oxidanyl)phenyl]-11-oxidanyl-tridecan-2-yl] ethanoate Openeye Name: [(1R,10S)-1-[(3,5-dihydroxyphenyl)methyl]-10-hydroxy-dodecyl] acetate CAS Name: acetic acid [(2R,11S)-1-(3,5-dihydroxyphenyl)-11-hydroxytridecan-2-yl] ester IUPAC Name: [(2R,11S)-1-(3,5-dihydroxyphenyl)-11-hydroxytridecan-2-yl] acetate Traditional Name: acetic acid [(1R,10S)-1-(3,5-dihydroxybenzyl)-10-hydroxy-dodecyl] ester Formula: C21H34O5 MolecularWeight: 366.49166

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCCCCCCCC(CC1=CC(=CC(=C1)O)O)OC(=O)C)O

Isomeric SMILES

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

InChI

InChI=1S/C21H34O5/c1-3-18(23)10-8-6-4-5-7-9-11-21(26-16(2)22)14-17-12-19(24)15-20(25)13-17/h12-13,15,18,21,23-25H,3-11,14H2,1-2H3/t18-,21+/m0/s1