O2-butyl O1-(4-methylpentyl) 4-bromanyl-5-methyl-benzene-1,2-dicarboxylate

Systemtic Name: O2-butyl O1-(4-methylpentyl) 4-bromanyl-5-methyl-benzene-1,2-dicarboxylate Openeye Name: O2-butyl O1-isohexyl 4-bromo-5-methyl-benzene-1,2-dicarboxylate CAS Name: 4-bromo-5-methylbenzene-1,2-dicarboxylic acid O2-butyl ester O1-(4-methylpentyl) ester IUPAC Name: 2-O-butyl 1-O-(4-methylpentyl) 4-bromo-5-methylbenzene-1,2-dicarboxylate Traditional Name: 4-bromo-5-methyl-benzene-1,2-dicarboxylic acid O2-butyl ester O1-isohexyl ester Formula: C19H27BrO4 MolecularWeight: 399.31928

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC(=C(C=C1C(=O)OCCCC(C)C)C)Br

Isomeric SMILES

CCCCOC(=O)C1=CC(=C(C=C1C(=O)OCCCC(C)C)C)Br

InChI

InChI=1S/C19H27BrO4/c1-5-6-9-23-19(22)16-12-17(20)14(4)11-15(16)18(21)24-10-7-8-13(2)3/h11-13H,5-10H2,1-4H3