Substance
- Substance Name: 2-(3,4-dihydroxyphenyl)ethyl octanoate
- Formula: C16H24O4
- Molecular Weight: 280.36 g/mol
- Identifiers:
- inchi: InChI=1S/C16H24O4/c1-2-3-4-5-6-7-16(19)20-11-10-13-8-9-14(17)15(18)12-13/h8-9,12,17-18H,2-7,10-11H2,1H3
- inchikey: BSMMTDHVUMNCEC-UHFFFAOYSA-N
- csmiles: CCCCCCCC(=O)OCCC1=CC(=C(C=C1)O)O
- ismiles: CCCCCCCC(=O)OCCC1=CC(=C(C=C1)O)O
- pubchemId: 53258983
- iupacname: 2-(3,4-dihydroxyphenyl)ethyl octanoate
2-(3,4-dihydroxyphenyl)ethyl octanoate
Systems and Datasets
- 2-(3,4-dihydroxyphenyl)ethyl octanoate + octan-1-ol + water (Datasets: 1)
- Dataset 13 in paper 10.1021/acs.jced.8b00258 (Dataseries: 1, Datapoints: 1, Quantity: Amount concentration)