3-(3-bromanyl-4-hexoxy-5-methoxy-phenyl)propanoate

Systemtic Name: 3-(3-bromanyl-4-hexoxy-5-methoxy-phenyl)propanoate Openeye Name: 3-(3-bromo-4-hexoxy-5-methoxy-phenyl)propanoate CAS Name: 3-(3-bromo-4-hexoxy-5-methoxyphenyl)propanoate IUPAC Name: 3-(3-bromo-4-hexoxy-5-methoxyphenyl)propanoate Traditional Name: 3-(3-bromo-4-hexoxy-5-methoxy-phenyl)propionate Formula: C16H22BrO4- MolecularWeight: 358.24748

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1Br)CCC(=O)[O-])OC

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1Br)CCC(=O)[O-])OC

InChI

InChI=1S/C16H23BrO4/c1-3-4-5-6-9-21-16-13(17)10-12(7-8-15(18)19)11-14(16)20-2/h10-11H,3-9H2,1-2H3,(H,18,19)/p-1