dibutyl benzene-1,2-dicarboxylate; 3,4-dioctylphthalate

Systemtic Name: dibutyl benzene-1,2-dicarboxylate; 3,4-dioctylphthalate Openeye Name: dibutyl benzene-1,2-dicarboxylate; 3,4-dioctylphthalate CAS Name: benzene-1,2-dicarboxylic acid dibutyl ester; 3,4-dioctylphthalate IUPAC Name: dibutyl benzene-1,2-dicarboxylate; 3,4-dioctylphthalate Traditional Name: benzene-1,2-dicarboxylic acid dibutyl ester; 3,4-dioctylphthalate Formula: C40H58O8-2 MolecularWeight: 666.88372

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C(=C(C=C1)C(=O)[O-])C(=O)[O-])CCCCCCCC.CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC

Isomeric SMILES

CCCCCCCCC1=C(C(=C(C=C1)C(=O)[O-])C(=O)[O-])CCCCCCCC.CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC

InChI

InChI=1S/C24H38O4.C16H22O4/c1-3-5-7-9-11-13-15-19-17-18-21(23(25)26)22(24(27)28)20(19)16-14-12-10-8-6-4-2;1-3-5-11-19-15(17)13-9-7-8-10-14(13)16(18)20-12-6-4-2/h17-18H,3-16H2,1-2H3,(H,25,26)(H,27,28);7-10H,3-6,11-12H2,1-2H3/p-2