[3-[(E)-3-(2-bromoethyloxy)-3-oxidanylidene-prop-1-enyl]oxetan-3-yl]methyl octanoate

Systemtic Name: [3-[(E)-3-(2-bromoethyloxy)-3-oxidanylidene-prop-1-enyl]oxetan-3-yl]methyl octanoate Openeye Name: [3-[(E)-3-(2-bromoethoxy)-3-oxo-prop-1-enyl]oxetan-3-yl]methyl octanoate CAS Name: octanoic acid [3-[(E)-3-(2-bromoethoxy)-3-oxoprop-1-enyl]-3-oxetanyl]methyl ester IUPAC Name: [3-[(E)-3-(2-bromoethoxy)-3-oxoprop-1-enyl]oxetan-3-yl]methyl octanoate Traditional Name: caprylic acid [3-[(E)-3-(2-bromoethoxy)-3-keto-prop-1-enyl]oxetan-3-yl]methyl ester Formula: C17H27BrO5 MolecularWeight: 391.29728

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OCC1(COC1)C=CC(=O)OCCBr

Isomeric SMILES

CCCCCCCC(=O)OCC1(COC1)/C=C/C(=O)OCCBr

InChI

InChI=1S/C17H27BrO5/c1-2-3-4-5-6-7-15(19)23-14-17(12-21-13-17)9-8-16(20)22-11-10-18/h8-9H,2-7,10-14H2,1H3/b9-8+