3,4-bis(2-ethylhexyl)phthalic acid; bis(6-methylheptyl) benzene-1,2-dicarboxylate

Systemtic Name: 3,4-bis(2-ethylhexyl)phthalic acid; bis(6-methylheptyl) benzene-1,2-dicarboxylate Openeye Name: 3,4-bis(2-ethylhexyl)phthalic acid; bis(6-methylheptyl) benzene-1,2-dicarboxylate CAS Name: benzene-1,2-dicarboxylic acid bis(6-methylheptyl) ester; 3,4-bis(2-ethylhexyl)phthalic acid IUPAC Name: 3,4-bis(2-ethylhexyl)phthalic acid; bis(6-methylheptyl) benzene-1,2-dicarboxylate Traditional Name: benzene-1,2-dicarboxylic acid bis(6-methylheptyl) ester; 3,4-bis(2-ethylhexyl)phthalic acid Formula: C48H76O8 MolecularWeight: 781.11224

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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.CC(C)CCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCC(C)C

Isomeric SMILES

CCCCC(CC)CC1=C(C(=C(C=C1)C(=O)O)C(=O)O)CC(CC)CCCC.CC(C)CCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCC(C)C

InChI

InChI=1S/2C24H38O4/c1-19(2)13-7-5-11-17-27-23(25)21-15-9-10-16-22(21)24(26)28-18-12-6-8-14-20(3)4;1-5-9-11-17(7-3)15-19-13-14-20(23(25)26)22(24(27)28)21(19)16-18(8-4)12-10-6-2/h9-10,15-16,19-20H,5-8,11-14,17-18H2,1-4H3;13-14,17-18H,5-12,15-16H2,1-4H3,(H,25,26)(H,27,28)