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3-ethyl-2-phenacyl-octanoate

3-ethyl-2-phenacyl-octanoate

Systemtic Name:3-ethyl-2-phenacyl-octanoate
Openeye Name:3-ethyl-2-phenacyl-octanoate
CAS Name:3-ethyl-2-phenacyloctanoate
IUPAC Name:3-ethyl-2-phenacyloctanoate
Traditional Name:3-ethyl-2-phenacyl-caprylate
Formula: C18H25O3-
MolecularWeight: 289.3893
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)C(CC(=O)C1=CC=CC=C1)C(=O)[O-]


Isomeric SMILES

CCCCCC(CC)C(CC(=O)C1=CC=CC=C1)C(=O)[O-]


InChI

InChI=1S/C18H26O3/c1-3-5-7-10-14(4-2)16(18(20)21)13-17(19)15-11-8-6-9-12-15/h6,8-9,11-12,14,16H,3-5,7,10,13H2,1-2H3,(H,20,21)/p-1


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