3,5-bis(2-ethylhexyl)-2-methyl-terephthalate

Systemtic Name: 3,5-bis(2-ethylhexyl)-2-methyl-terephthalate Openeye Name: 3,5-bis(2-ethylhexyl)-2-methyl-terephthalate CAS Name: 3,5-bis(2-ethylhexyl)-2-methylterephthalate IUPAC Name: 3,5-bis(2-ethylhexyl)-2-methylterephthalate Traditional Name: 3,5-bis(2-ethylhexyl)-2-methyl-terephthalate Formula: C25H38O4-2 MolecularWeight: 402.56682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H40O4/c1-6-10-12-18(8-3)14-20-16-22(24(26)27)17(5)21(23(20)25(28)29)15-19(9-4)13-11-7-2/h16,18-19H,6-15H2,1-5H3,(H,26,27)(H,28,29)/p-2