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

Systemtic Name: O2-butyl O1-(4-methylpentyl) 3-bromanylbenzene-1,2-dicarboxylate Openeye Name: O2-butyl O1-isohexyl 3-bromobenzene-1,2-dicarboxylate CAS Name: 3-bromobenzene-1,2-dicarboxylic acid O2-butyl ester O1-(4-methylpentyl) ester IUPAC Name: 2-O-butyl 1-O-(4-methylpentyl) 3-bromobenzene-1,2-dicarboxylate Traditional Name: 3-bromobenzene-1,2-dicarboxylic acid O2-butyl ester O1-isohexyl ester Formula: C18H25BrO4 MolecularWeight: 385.2927

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25BrO4/c1-4-5-11-23-18(21)16-14(9-6-10-15(16)19)17(20)22-12-7-8-13(2)3/h6,9-10,13H,4-5,7-8,11-12H2,1-3H3