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

Systemtic Name: O2-butyl O1-(4-methylpentyl) 4-bromanylbenzene-1,2-dicarboxylate Openeye Name: O2-butyl O1-isohexyl 4-bromobenzene-1,2-dicarboxylate CAS Name: 4-bromobenzene-1,2-dicarboxylic acid O2-butyl ester O1-(4-methylpentyl) ester IUPAC Name: 2-O-butyl 1-O-(4-methylpentyl) 4-bromobenzene-1,2-dicarboxylate Traditional Name: 4-bromobenzene-1,2-dicarboxylic acid O2-butyl ester O1-isohexyl ester Formula: C18H25BrO4 MolecularWeight: 385.2927

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25BrO4/c1-4-5-10-22-18(21)16-12-14(19)8-9-15(16)17(20)23-11-6-7-13(2)3/h8-9,12-13H,4-7,10-11H2,1-3H3