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

Systemtic Name: O2-butyl O1-(4-methylpentyl) 3-tert-butylbenzene-1,2-dicarboxylate Openeye Name: O2-butyl O1-isohexyl 3-tert-butylbenzene-1,2-dicarboxylate CAS Name: 3-tert-butylbenzene-1,2-dicarboxylic acid O2-butyl ester O1-(4-methylpentyl) ester IUPAC Name: 2-O-butyl 1-O-(4-methylpentyl) 3-tert-butylbenzene-1,2-dicarboxylate Traditional Name: 3-tert-butylbenzene-1,2-dicarboxylic acid O2-butyl ester O1-isohexyl ester Formula: C22H34O4 MolecularWeight: 362.50296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H34O4/c1-7-8-14-26-21(24)19-17(12-9-13-18(19)22(4,5)6)20(23)25-15-10-11-16(2)3/h9,12-13,16H,7-8,10-11,14-15H2,1-6H3