3,4-bis(2-methylpropyl)phthalate; dibutyl benzene-1,2-dicarboxylate

Systemtic Name: 3,4-bis(2-methylpropyl)phthalate; dibutyl benzene-1,2-dicarboxylate Openeye Name: dibutyl benzene-1,2-dicarboxylate; 3,4-diisobutylphthalate CAS Name: benzene-1,2-dicarboxylic acid dibutyl ester; 3,4-bis(2-methylpropyl)phthalate IUPAC Name: 3,4-bis(2-methylpropyl)phthalate; dibutyl benzene-1,2-dicarboxylate Traditional Name: benzene-1,2-dicarboxylic acid dibutyl ester; 3,4-diisobutylphthalate Formula: C32H42O8-2 MolecularWeight: 554.67108

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC.CC(C)CC1=C(C(=C(C=C1)C(=O)[O-])C(=O)[O-])CC(C)C

Isomeric SMILES

CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC.CC(C)CC1=C(C(=C(C=C1)C(=O)[O-])C(=O)[O-])CC(C)C

InChI

InChI=1S/2C16H22O4/c1-9(2)7-11-5-6-12(15(17)18)14(16(19)20)13(11)8-10(3)4;1-3-5-11-19-15(17)13-9-7-8-10-14(13)16(18)20-12-6-4-2/h5-6,9-10H,7-8H2,1-4H3,(H,17,18)(H,19,20);7-10H,3-6,11-12H2,1-2H3/p-2