O2-ethyl O1-(4-methylpentyl) 3-bromanylbenzene-1,2-dicarboxylate

Systemtic Name: O2-ethyl O1-(4-methylpentyl) 3-bromanylbenzene-1,2-dicarboxylate Openeye Name: O2-ethyl O1-isohexyl 3-bromobenzene-1,2-dicarboxylate CAS Name: 3-bromobenzene-1,2-dicarboxylic acid O2-ethyl ester O1-(4-methylpentyl) ester IUPAC Name: 2-O-ethyl 1-O-(4-methylpentyl) 3-bromobenzene-1,2-dicarboxylate Traditional Name: 3-bromobenzene-1,2-dicarboxylic acid O2-ethyl ester O1-isohexyl ester Formula: C16H21BrO4 MolecularWeight: 357.23954

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=CC=C1Br)C(=O)OCCCC(C)C

Isomeric SMILES

CCOC(=O)C1=C(C=CC=C1Br)C(=O)OCCCC(C)C

InChI

InChI=1S/C16H21BrO4/c1-4-20-16(19)14-12(8-5-9-13(14)17)15(18)21-10-6-7-11(2)3/h5,8-9,11H,4,6-7,10H2,1-3H3