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8-bromanyl-2-(phenylmethyl)octanoate

8-bromanyl-2-(phenylmethyl)octanoate

Systemtic Name:8-bromanyl-2-(phenylmethyl)octanoate
Openeye Name:2-benzyl-8-bromo-octanoate
CAS Name:8-bromo-2-(phenylmethyl)octanoate
IUPAC Name:2-benzyl-8-bromooctanoate
Traditional Name:2-benzyl-8-bromo-caprylate
Formula: C15H20BrO2-
MolecularWeight: 312.2221
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C15H21BrO2/c16-11-7-2-1-6-10-14(15(17)18)12-13-8-4-3-5-9-13/h3-5,8-9,14H,1-2,6-7,10-12H2,(H,17,18)/p-1


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