3,4-bis(2-ethylhexyl)phthalic acid; dibutyl benzene-1,2-dicarboxylate

Systemtic Name: 3,4-bis(2-ethylhexyl)phthalic acid; dibutyl benzene-1,2-dicarboxylate Openeye Name: 3,4-bis(2-ethylhexyl)phthalic acid; dibutyl benzene-1,2-dicarboxylate CAS Name: benzene-1,2-dicarboxylic acid dibutyl ester; 3,4-bis(2-ethylhexyl)phthalic acid IUPAC Name: 3,4-bis(2-ethylhexyl)phthalic acid; dibutyl benzene-1,2-dicarboxylate Traditional Name: benzene-1,2-dicarboxylic acid dibutyl ester; 3,4-bis(2-ethylhexyl)phthalic acid Formula: C40H60O8 MolecularWeight: 668.8996

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CC1=C(C(=C(C=C1)C(=O)O)C(=O)O)CC(CC)CCCC.CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC

Isomeric SMILES

CCCCC(CC)CC1=C(C(=C(C=C1)C(=O)O)C(=O)O)CC(CC)CCCC.CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC

InChI

InChI=1S/C24H38O4.C16H22O4/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;1-3-5-11-19-15(17)13-9-7-8-10-14(13)16(18)20-12-6-4-2/h13-14,17-18H,5-12,15-16H2,1-4H3,(H,25,26)(H,27,28);7-10H,3-6,11-12H2,1-2H3