[1-[3,5-bis(oxidanyl)phenyl]-7-oxidanyl-8-oxidanylidene-tridecan-2-yl] ethanoate

Systemtic Name: [1-[3,5-bis(oxidanyl)phenyl]-7-oxidanyl-8-oxidanylidene-tridecan-2-yl] ethanoate Openeye Name: [1-[(3,5-dihydroxyphenyl)methyl]-6-hydroxy-7-oxo-dodecyl] acetate CAS Name: acetic acid [1-(3,5-dihydroxyphenyl)-7-hydroxy-8-oxotridecan-2-yl] ester IUPAC Name: [1-(3,5-dihydroxyphenyl)-7-hydroxy-8-oxotridecan-2-yl] acetate Traditional Name: acetic acid [1-(3,5-dihydroxybenzyl)-6-hydroxy-7-keto-dodecyl] ester Formula: C21H32O6 MolecularWeight: 380.47518

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C(CCCCC(CC1=CC(=CC(=C1)O)O)OC(=O)C)O

Isomeric SMILES

CCCCCC(=O)C(CCCCC(CC1=CC(=CC(=C1)O)O)OC(=O)C)O

InChI

InChI=1S/C21H32O6/c1-3-4-5-9-20(25)21(26)10-7-6-8-19(27-15(2)22)13-16-11-17(23)14-18(24)12-16/h11-12,14,19,21,23-24,26H,3-10,13H2,1-2H3