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2,4-bis(3,3,5-trimethylhexyl)benzene-1,3-dicarboxylate

2,4-bis(3,3,5-trimethylhexyl)benzene-1,3-dicarboxylate

Systemtic Name:2,4-bis(3,3,5-trimethylhexyl)benzene-1,3-dicarboxylate
Openeye Name:2,4-bis(3,3,5-trimethylhexyl)benzene-1,3-dicarboxylate
CAS Name:2,4-bis(3,3,5-trimethylhexyl)benzene-1,3-dicarboxylate
IUPAC Name:2,4-bis(3,3,5-trimethylhexyl)benzene-1,3-dicarboxylate
Traditional Name:2,4-bis(3,3,5-trimethylhexyl)isophthalate
Formula: C26H40O4-2
MolecularWeight: 416.5934
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C)(C)CCC1=C(C(=C(C=C1)C(=O)[O-])CCC(C)(C)CC(C)C)C(=O)[O-]


Isomeric SMILES

CC(C)CC(C)(C)CCC1=C(C(=C(C=C1)C(=O)[O-])CCC(C)(C)CC(C)C)C(=O)[O-]


InChI

InChI=1S/C26H42O4/c1-17(2)15-25(5,6)13-11-19-9-10-21(23(27)28)20(22(19)24(29)30)12-14-26(7,8)16-18(3)4/h9-10,17-18H,11-16H2,1-8H3,(H,27,28)(H,29,30)/p-2


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