bis(2-ethylhexyl) benzene-1,2-dicarboxylate; 3,4-dioctylphthalate

Systemtic Name: bis(2-ethylhexyl) benzene-1,2-dicarboxylate; 3,4-dioctylphthalate Openeye Name: bis(2-ethylhexyl) benzene-1,2-dicarboxylate; 3,4-dioctylphthalate CAS Name: benzene-1,2-dicarboxylic acid bis(2-ethylhexyl) ester; 3,4-dioctylphthalate IUPAC Name: bis(2-ethylhexyl) benzene-1,2-dicarboxylate; 3,4-dioctylphthalate Traditional Name: benzene-1,2-dicarboxylic acid bis(2-ethylhexyl) ester; 3,4-dioctylphthalate Formula: C48H74O8-2 MolecularWeight: 779.09636

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C(=C(C=C1)C(=O)[O-])C(=O)[O-])CCCCCCCC.CCCCC(CC)COC(=O)C1=CC=CC=C1C(=O)OCC(CC)CCCC

Isomeric SMILES

CCCCCCCCC1=C(C(=C(C=C1)C(=O)[O-])C(=O)[O-])CCCCCCCC.CCCCC(CC)COC(=O)C1=CC=CC=C1C(=O)OCC(CC)CCCC

InChI

InChI=1S/2C24H38O4/c1-5-9-13-19(7-3)17-27-23(25)21-15-11-12-16-22(21)24(26)28-18-20(8-4)14-10-6-2;1-3-5-7-9-11-13-15-19-17-18-21(23(25)26)22(24(27)28)20(19)16-14-12-10-8-6-4-2/h11-12,15-16,19-20H,5-10,13-14,17-18H2,1-4H3;17-18H,3-16H2,1-2H3,(H,25,26)(H,27,28)/p-2