3,4-bis(2-ethylhexyl)phthalate; 3,4-dioctylphthalic acid

Systemtic Name: 3,4-bis(2-ethylhexyl)phthalate; 3,4-dioctylphthalic acid Openeye Name: 3,4-bis(2-ethylhexyl)phthalate; 3,4-dioctylphthalic acid CAS Name: 3,4-bis(2-ethylhexyl)phthalate; 3,4-dioctylphthalic acid IUPAC Name: 3,4-bis(2-ethylhexyl)phthalate; 3,4-dioctylphthalic acid Traditional Name: 3,4-bis(2-ethylhexyl)phthalate; 3,4-dioctylphthalic acid 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)CC1=C(C(=C(C=C1)C(=O)[O-])C(=O)[O-])CC(CC)CCCC

Isomeric SMILES

CCCCCCCCC1=C(C(=C(C=C1)C(=O)O)C(=O)O)CCCCCCCC.CCCCC(CC)CC1=C(C(=C(C=C1)C(=O)[O-])C(=O)[O-])CC(CC)CCCC

InChI

InChI=1S/2C24H38O4/c1-5-9-11-17(7-3)15-19-13-14-20(23(25)26)22(24(27)28)21(19)16-18(8-4)12-10-6-2;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/h13-14,17-18H,5-12,15-16H2,1-4H3,(H,25,26)(H,27,28);17-18H,3-16H2,1-2H3,(H,25,26)(H,27,28)/p-2