methyl 3-bromanyl-4-(8-oxidanylidene-7-propanoyl-decoxy)benzoate

Systemtic Name: methyl 3-bromanyl-4-(8-oxidanylidene-7-propanoyl-decoxy)benzoate Openeye Name: methyl 3-bromo-4-(8-oxo-7-propanoyl-decoxy)benzoate CAS Name: 3-bromo-4-[8-oxo-7-(1-oxopropyl)decoxy]benzoic acid methyl ester IUPAC Name: methyl 3-bromo-4-(8-oxo-7-propanoyldecoxy)benzoate Traditional Name: 3-bromo-4-(8-keto-7-propionyl-decoxy)benzoic acid methyl ester Formula: C21H29BrO5 MolecularWeight: 441.35596

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(CCCCCCOC1=C(C=C(C=C1)C(=O)OC)Br)C(=O)CC

Isomeric SMILES

CCC(=O)C(CCCCCCOC1=C(C=C(C=C1)C(=O)OC)Br)C(=O)CC

InChI

InChI=1S/C21H29BrO5/c1-4-18(23)16(19(24)5-2)10-8-6-7-9-13-27-20-12-11-15(14-17(20)22)21(25)26-3/h11-12,14,16H,4-10,13H2,1-3H3